Vitas-M small molecule compound
(16E)-16-(4-methoxybenzylidene)androst-5-ene-3,17-diol
Catalog ID
STK072070
SMILES COc1ccc(cc1)/C=C/1\CC2C(C1O)(C)CCC1C2CC=C2C1(C)CCC(C2)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H36O3 MW 408.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36O3/c1-26-12-10-20(28)16-19(26)6-9-22-23(26)11-13-27(2)24(22)15-18(25(27)29)14-17-4-7-21(30-3)8-5-17/h4-8,14,20,22-25,28-29H,9-13,15-16H2,1-3H3/b18-14+InChIKey
MDGYGSZQYJUTBN-NBVRZTHBSA-NSynonyms
5983-28-8(16E)16((4methoxyphenyl)methylidene)1013dimethyl12347891112141517dodecahydrocyclopenta(a)phenanthrene317diol
(16E)16(4METHOXYBENZYLIDENE)ANDROST5ENE317DIOL
5983288
CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4O)C)O
COc1ccc(cc1)C=C1CC2C(C1O)(C)CCC1C2CC=C2C1(C)CCC(C2)O
InChI=1SC27H36O3c126121020(28)1619(26)692223(26)111327(2)24(22)1518(25(27)29)14174721(303)8517h48142022252829H9131516H213H3b1814+
MFCD01624211
STK072070
ZINC000118916303
ZINC000245267762
ZINC000253500712
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