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Steroids and derivatives

Any of a large class of organic compounds with a characteristic molecular structure containing four rings of carbon atoms (three six-membered and one five) and associated derivatives; includes many hormones, alkaloids, and vitamins.
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1 – 15 of 73 results
2

Calciferol

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

PubChem CID 134129658
CAS 50-14-6
Molecular Weight (g/mol) 396.66
MDL Number MFCD00166988,MFCD11656674
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
Synonym ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina
IUPAC Name (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key MECHNRXZTMCUDQ-VLOQVYPSSA-N
Molecular Formula C28H44O
3

Calciferol, 97%, Thermo Scientific Chemicals

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

PubChem CID 134129658
CAS 50-14-6
Molecular Weight (g/mol) 396.66
MDL Number MFCD00166988,MFCD11656674
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
Synonym ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina
IUPAC Name (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key MECHNRXZTMCUDQ-VLOQVYPSSA-N
Molecular Formula C28H44O
4

Ecdysterone

CAS: 5289-74-7 Molecular Formula: C27H44O7 Molecular Weight (g/mol): 480.64 MDL Number: MFCD00036740 InChI Key: NKDFYOWSKOHCCO-YPVLXUMRSA-N Synonym: 20-hydroxyecdysone,ecdysterone,beta-ecdysone,crustecdysone,20-oh ecdysone,the-7,polypodine a,insect moulting hormone,commisterone,crustecdyson PubChem CID: 5459840 ChEBI: CHEBI:16587 IUPAC Name: (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one SMILES: CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

PubChem CID 5459840
CAS 5289-74-7
Molecular Weight (g/mol) 480.64
ChEBI CHEBI:16587
MDL Number MFCD00036740
SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Synonym 20-hydroxyecdysone,ecdysterone,beta-ecdysone,crustecdysone,20-oh ecdysone,the-7,polypodine a,insect moulting hormone,commisterone,crustecdyson
IUPAC Name (1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChI Key NKDFYOWSKOHCCO-YPVLXUMRSA-N
Molecular Formula C27H44O7
5

Finasteride

CAS: 98319-26-7 Molecular Formula: C23H36N2O2 Molecular Weight (g/mol): 372.553 MDL Number: MFCD00869737 InChI Key: DBEPLOCGEIEOCV-WSBQPABSSA-N Synonym: finasteride,proscar,propecia,finastid,prostide,chibro-proscar,finasterida,finasteridum,finpecia,finasteridum inn-latin PubChem CID: 57363 ChEBI: CHEBI:5062 IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide SMILES: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C

PubChem CID 57363
CAS 98319-26-7
Molecular Weight (g/mol) 372.553
ChEBI CHEBI:5062
MDL Number MFCD00869737
SMILES CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
Synonym finasteride,proscar,propecia,finastid,prostide,chibro-proscar,finasterida,finasteridum,finpecia,finasteridum inn-latin
IUPAC Name (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
InChI Key DBEPLOCGEIEOCV-WSBQPABSSA-N
Molecular Formula C23H36N2O2
6

Triamcinolone acetonide, 98+%, Thermo Scientific Chemicals

CAS: 76-25-5 Molecular Formula: C24H31FO6 Molecular Weight (g/mol): 434.504 MDL Number: MFCD00056834 InChI Key: YNDXUCZADRHECN-JNQJZLCISA-N Synonym: triamcinolone acetonide,azmacort,nasacort aq,aristoderm,aristogel,kenalone,solodelf,tramacin,triaceton,tricinolon PubChem CID: 6436 ChEBI: CHEBI:71418 SMILES: CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C

PubChem CID 6436
CAS 76-25-5
Molecular Weight (g/mol) 434.504
ChEBI CHEBI:71418
MDL Number MFCD00056834
SMILES CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C
Synonym triamcinolone acetonide,azmacort,nasacort aq,aristoderm,aristogel,kenalone,solodelf,tramacin,triaceton,tricinolon
InChI Key YNDXUCZADRHECN-JNQJZLCISA-N
Molecular Formula C24H31FO6
7

Dexamethasone acetate, Thermo Scientific Chemicals

CAS: 1177-87-3 Molecular Formula: C24H31FO6 Molecular Weight (g/mol): 434.50 MDL Number: MFCD00027407 InChI Key: AKUJBENLRBOFTD-RPRRAYFGSA-N Synonym: dexamethasone acetate,11b,16a-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate PubChem CID: 40469526 IUPAC Name: 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

PubChem CID 40469526
CAS 1177-87-3
Molecular Weight (g/mol) 434.50
MDL Number MFCD00027407
SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
Synonym dexamethasone acetate,11b,16a-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate
IUPAC Name 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
InChI Key AKUJBENLRBOFTD-RPRRAYFGSA-N
Molecular Formula C24H31FO6
8

Canrenone, 98%

CAS: 976-71-6 Molecular Formula: C22H28O3 Molecular Weight (g/mol): 340.463 MDL Number: MFCD00071735 InChI Key: UJVLDDZCTMKXJK-WNHSNXHDSA-N Synonym: canrenone,aldadiene,phanurane,luvion,aldadiene van,canrenone usan:inn,canrenonum inn-latin,canrenona inn-spanish,unii-78o20x9j0u,17alpha-2-carboxyethyl-17beta-hydroxyandrosta-4,6-dien-3-one lactone PubChem CID: 13789 IUPAC Name: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione SMILES: CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C

PubChem CID 13789
CAS 976-71-6
Molecular Weight (g/mol) 340.463
MDL Number MFCD00071735
SMILES CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C
Synonym canrenone,aldadiene,phanurane,luvion,aldadiene van,canrenone usan:inn,canrenonum inn-latin,canrenona inn-spanish,unii-78o20x9j0u,17alpha-2-carboxyethyl-17beta-hydroxyandrosta-4,6-dien-3-one lactone
IUPAC Name (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
InChI Key UJVLDDZCTMKXJK-WNHSNXHDSA-N
Molecular Formula C22H28O3
9

Thermo Scientific Chemicals Vitamin D3, 99%

CAS: 67-97-0 Molecular Formula: C27H44O Molecular Weight (g/mol): 384.648 MDL Number: MFCD00078131 InChI Key: QYSXJUFSXHHAJI-YRZJJWOYSA-N Synonym: vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum PubChem CID: 5280795 ChEBI: CHEBI:28940 IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

PubChem CID 5280795
CAS 67-97-0
Molecular Weight (g/mol) 384.648
ChEBI CHEBI:28940
MDL Number MFCD00078131
SMILES CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Synonym vitamin d3,cholecalciferol,calciol,colecalciferol,oleovitamin d3,arachitol,activated 7-dehydrocholesterol,vitamin d,colecalcipherol,colecalciferolum
IUPAC Name (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key QYSXJUFSXHHAJI-YRZJJWOYSA-N
Molecular Formula C27H44O
10

Zinc gluconate hydrate, 97%

CAS: 4468-02-4 MDL Number: MFCD00868110

CAS 4468-02-4
MDL Number MFCD00868110
11

5alpha-Cholestane, 98+%

CAS: 481-21-0 Molecular Formula: C27H48 Molecular Weight (g/mol): 372.67 MDL Number: MFCD00066412 InChI Key: XIIAYQZJNBULGD-XWLABEFZSA-N Synonym: 5alpha-cholestane,5-alpha-cholestane,alpha-cholestane,cholestane,28,29,30-trinorlanostane,unii-u260hwn305,5alpha-cholestane 8ci,5?-cholestane,cholestane van PubChem CID: 2723895 ChEBI: CHEBI:35515 IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

PubChem CID 2723895
CAS 481-21-0
Molecular Weight (g/mol) 372.67
ChEBI CHEBI:35515
MDL Number MFCD00066412
SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
Synonym 5alpha-cholestane,5-alpha-cholestane,alpha-cholestane,cholestane,28,29,30-trinorlanostane,unii-u260hwn305,5alpha-cholestane 8ci,5?-cholestane,cholestane van
IUPAC Name (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
InChI Key XIIAYQZJNBULGD-XWLABEFZSA-N
Molecular Formula C27H48
12

Thermo Scientific Chemicals Vitamin D2, 97+%

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina PubChem CID: 134129658 IUPAC Name: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

PubChem CID 134129658
CAS 50-14-6
Molecular Weight (g/mol) 396.66
MDL Number MFCD00166988,MFCD11656674
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C
Synonym ergocalciferol,vitamin d2,calciferol,viosterol,oleovitamin d2,ercalciol,ergorone,detalup,condocaps,crystallina
IUPAC Name (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI Key MECHNRXZTMCUDQ-VLOQVYPSSA-N
Molecular Formula C28H44O
13

Mifepristone, 98%, Thermo Scientific Chemicals

CAS: 84371-65-3 Molecular Formula: C29H35NO2 Molecular Weight (g/mol): 429.59 InChI Key: VKHAHZOOUSRJNA-GCNJZUOMSA-N Synonym: mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish PubChem CID: 55245 ChEBI: CHEBI:50692 IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O

PubChem CID 55245
CAS 84371-65-3
Molecular Weight (g/mol) 429.59
ChEBI CHEBI:50692
SMILES CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Synonym mifepristone,mifeprex,mifegyne,mifepriston,corlux,mifepristona,mifepristonum,korlym,mifepristonum latin,mifepristona spanish
IUPAC Name (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI Key VKHAHZOOUSRJNA-GCNJZUOMSA-N
Molecular Formula C29H35NO2
14

Cyproterone acetate, 98%, Thermo Scientific Chemicals

CAS: 427-51-0 Molecular Formula: C24H29ClO4 Molecular Weight (g/mol): 416.94 InChI Key: UWFYSQMTEOIJJG-FDTZYFLXSA-N Synonym: cyproterone acetate,androcur,cyproterone 17-o-acetate,cyproteron acetate,cyproteron-r acetate,cyprosterone acetate,unii-4km2bn5jhf,cyproteroneacetate,cyproterone 17alpha-acetate,ccris 4385 PubChem CID: 9880 ChEBI: CHEBI:50743 SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C

PubChem CID 9880
CAS 427-51-0
Molecular Weight (g/mol) 416.94
ChEBI CHEBI:50743
SMILES CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C
Synonym cyproterone acetate,androcur,cyproterone 17-o-acetate,cyproteron acetate,cyproteron-r acetate,cyprosterone acetate,unii-4km2bn5jhf,cyproteroneacetate,cyproterone 17alpha-acetate,ccris 4385
InChI Key UWFYSQMTEOIJJG-FDTZYFLXSA-N
Molecular Formula C24H29ClO4
15

Thermo Scientific™ Estradiene dione

CAS: 5571-36-8 Molecular Formula: C20H26O3 Molecular Weight (g/mol): 314.43 InChI Key: XUOQKQRMICQUQC-UHFFFAOYNA-N IUPAC Name: 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one SMILES: CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O

CAS 5571-36-8
Molecular Weight (g/mol) 314.43
SMILES CC12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O
IUPAC Name 11a-methyl-1,2,3,3a,3b,4,5,6,8,9,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dioxolan]-1-one
InChI Key XUOQKQRMICQUQC-UHFFFAOYNA-N
Molecular Formula C20H26O3