Phenylpropanoids and polyketides
Thermo Scientific Chemicals 7-Hydroxy-4-methylcoumarin, 97%
CAS: 90-33-5 Formule moléculaire: C10H8O3 Poids moléculaire (g/mol): 176.17 Numéro MDL: MFCD00006866 Clé InChI: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonyme: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic CID PubChem: 5280567 ChEBI: CHEBI:17224 Nom IUPAC: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
3-Methylcinnamic acid, 98%, Thermo Scientific™
CAS: 3029-79-6 Formule moléculaire: C10H10O2 Poids moléculaire (g/mol): 162.19 Numéro MDL: MFCD00016844 Clé InChI: JZINNAKNHHQBOS-AATRIKPKSA-N Synonyme: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e CID PubChem: 2063448 ChEBI: CHEBI:61118 Nom IUPAC: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O
Hydrocinnamic acid, 99%
CAS: 501-52-0 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.18 Numéro MDL: MFCD00002771 Clé InChI: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonyme: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid CID PubChem: 107 ChEBI: CHEBI:28631 Nom IUPAC: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O
Chalcone, 97%
CAS: 94-41-7 Formule moléculaire: C15H12O Poids moléculaire (g/mol): 208.26 Numéro MDL: MFCD00003082 Clé InChI: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonyme: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone CID PubChem: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
Phenyl benzoate, 99%
CAS: 93-99-2 Formule moléculaire: C13H10O2 Poids moléculaire (g/mol): 198.22 Numéro MDL: MFCD00003072 Clé InChI: FCJSHPDYVMKCHI-UHFFFAOYSA-N Synonyme: benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210 CID PubChem: 7169 ChEBI: CHEBI:86919 Nom IUPAC: phenyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Thermo Scientific Chemicals 4-Epioxytetracycline, 'can be used as secondary standard'
CAS: 14206-58-7 Formule moléculaire: C22H24N2O9 Poids moléculaire (g/mol): 460.43 Numéro MDL: MFCD00062825 Clé InChI: OWFJMIVZYSDULZ-DVJPNYBFSA-N Synonyme: 4-epioxytetracyline,unii-73von8sry5,4-epioxytetracycline,73von8sry5,4r,4ar,5s,5ar,6s,12as-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide,hydroxy quatrimycin,oxytetracycline dihydrate specified impurity a ep,oxytetracycline hydrochloride specified impurity a ep,4r,4ar,5s,5ar,6s,12as-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide,2-naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, 4r,4ar,5s,5ar,6s,12as CID PubChem: 54678403 Nom IUPAC: (4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
Morin hydrate
CAS: 654055-01-3 Formule moléculaire: C15H10O7 Poids moléculaire (g/mol): 302.24 Numéro MDL: MFCD00217054 Clé InChI: YXOLAZRVSSWPPT-UHFFFAOYSA-N Synonyme: morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone CID PubChem: 16219651 Nom IUPAC: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
4-Chlorocinnamic acid, 99%, predominantly trans
CAS: 1615-02-7 Formule moléculaire: C9H7ClO2 Poids moléculaire (g/mol): 182.60 Numéro MDL: MFCD00004396 Clé InChI: GXLIFJYFGMHYDY-ZZXKWVIFSA-N Synonyme: 4-chlorocinnamic acid,p-chlorocinnamic acid,3-4-chlorophenyl acrylic acid,trans-4-chlorocinnamic acid,2e-3-4-chlorophenyl prop-2-enoic acid,e-p-chlorocinnamic acid,cinnamic acid, p-chloro,trans-p-chlorocinnamic acid,2-propenoic acid, 3-4-chlorophenyl,3-p-chlorophenyl acrylic acid CID PubChem: 637797 ChEBI: CHEBI:61116 Nom IUPAC: (E)-3-(4-chlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Cl)C=C1
trans-Cinnamaldehyde, 99%
CAS: 14371-10-9 Formule moléculaire: C9H8O Poids moléculaire (g/mol): 132.16 Numéro MDL: MFCD00007000 Clé InChI: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonyme: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal CID PubChem: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1
Acetylsalicylsalicylic acid, 97%
CAS: 530-75-6 Formule moléculaire: C16H12O6 Poids moléculaire (g/mol): 300.26 Numéro MDL: MFCD00143537 Clé InChI: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonyme: 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester CID PubChem: 10745 Nom IUPAC: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O
4-Bromomethyl-6,7-dimethoxycoumarin, 95%
CAS: 88404-25-5 Formule moléculaire: C12H11BrO4 Poids moléculaire (g/mol): 299.12 Numéro MDL: MFCD00011570 Clé InChI: JGODLBJJCNQFII-UHFFFAOYSA-N Synonyme: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran CID PubChem: 128870 Nom IUPAC: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Tris(dibenzoylmethane)mono(phenanthroline)europium(III)
CAS: 17904-83-5 Formule moléculaire: C57H44EuN2O6 Poids moléculaire (g/mol): 1004.951 Numéro MDL: MFCD01321202 Clé InChI: DYKOLWWJTALFFU-RWBKAWJDSA-N Synonyme: eu dbm 3 phen,tris dibenzoylmethane mono phenanthroline europium iii,tris dibenzoylmethane phenanthroline europium iii,tris dibenzoylmethane mono 1,10-phenanthroline europium lll,europium iii tris 1,3-diphenyl-1,3-propanedionato mono 1,10-phenanthroline,2e-3-bis 1e-3-oxo-1,3-diphenylprop-1-en-1-yl oxy europio oxy-1,3-diphenylprop-2-en-1-one; phen CID PubChem: 14205791 Nom IUPAC: europium;(E)-3-hydroxy-1,3-diphenylprop-2-en-1-one;1,10-phenanthroline SMILES: C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Eu]
5,7-Dihydroxy-4'-methoxyisoflavone, 98%
CAS: 491-80-5 Formule moléculaire: C16H12O5 Poids moléculaire (g/mol): 284.27 Numéro MDL: MFCD00006839 Clé InChI: WUADCCWRTIWANL-UHFFFAOYSA-N Synonyme: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl CID PubChem: 5280373 ChEBI: CHEBI:17574 Nom IUPAC: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
1,3-Diphenyl-1-butanone, 95%, Thermo Scientific Chemicals
CAS: 1533-20-6 Formule moléculaire: C16H16O Poids moléculaire (g/mol): 224.303 Numéro MDL: MFCD00026345 Clé InChI: GIVFXLVPKFXTCU-UHFFFAOYSA-N Synonyme: 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone CID PubChem: 137065 Nom IUPAC: 1,3-diphenylbutan-1-one SMILES: CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2
4-Dimethylaminocinnamic acid, 97+%
CAS: 1552-96-1 Formule moléculaire: C11H13NO2 Poids moléculaire (g/mol): 191.23 Numéro MDL: MFCD00004397 Clé InChI: CQNPVMCASGWEHM-VMPITWQZSA-N Synonyme: 4-dimethylamino cinnamic acid,4-dimethylaminocinnamic acid,p-dimethylamino cinnamic acid,3-4-dimethylamino phenyl acrylic acid,4-n,n-dimethylamino cinnamic acid,2e-3-4-dimethylamino phenyl prop-2-enoic acid,e-3-4-dimethylaminophenyl prop-2-enoic acid,e-3-4-dimethylamino phenyl acrylic acid CID PubChem: 1540638 Nom IUPAC: (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid SMILES: CN(C)C1=CC=C(C=C1)C=CC(=O)O