Vitas-M small molecule compound
3-hydroxyandrostan-17-yl benzoate
Catalog ID
STK366313
SMILES OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2OC(=O)c1ccccc1)C)C
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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 C26H36O3 MW 396.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18-23,27H,8-16H2,1-2H3InChIKey
DIYGODQITXZLQE-UHFFFAOYSA-NSynonyms
(3BETA5ALPHA17BETA)3HYDROXYANDROSTAN17YLBENZOATE
(3hydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)benzoate
(5S10S13S)3hydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17ylbenzoate
3hydroxyandrostan17ylbenzoate
CC12CCC(CC1CCC3C2CCC4(C3CCC4OC(=O)C5=CC=CC=C5)C)O
InChI=1SC26H36O3c125141219(27)1618(25)892021101123(26(212)151322(20)25)2924(28)176435717h37182327H816H212H3
MFCD01108558
OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2OC(=O)c1ccccc1)C)C
ZINC000239038513
ZINC000253498086
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