Vitas-M small molecule compound
(8xi,9xi,14xi)-3-hydroxyandrost-5-en-17-yl benzoate
Catalog ID
STL524469
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2OC(=O)c2ccccc2)C)C1)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 C26H34O3 MW 394.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O3/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/h3-8,19-23,27H,9-16H2,1-2H3/t19?,20?,21?,22?,23?,25-,26-/m0/s1InChIKey
BGSWILYBWIQYKQ-MTDHOPOQSA-NSynonyms
((10~(R)13~(S))3hydroxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)benzoate
(10R13S)3hydroxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17ylbenzoate
(8xi9xi14xi)3hydroxyandrost5en17ylbenzoate
16396165
InChI=1SC26H34O3c125141219(27)1618(25)892021101123(26(212)151322(20)25)2924(28)176435717h38192327H916H212H3t19?20?21?22?23?2526m0s1
MFCD01547933
OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2OC(=O)c2ccccc2)C)C1)C
ZINC000252693164
ZINC000253498990
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