Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl benzoate
Catalog ID
STL548693
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=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 C34H50O2 MW 490.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24?,27-,28?,29?,30?,31?,33-,34+/m0/s1InChIKey
UVZUFUGNHDDLRQ-BMIUIMMYSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)benzoate
(3beta8xi9xi14xi17xi20xi)cholest5en3ylbenzoate
(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylbenzoate
122170100
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)c1ccccc1)C)C
InChI=1SC34H50O2c123(2)1091124(3)29161730281514262227(3632(35)25127681325)182033(264)31(28)192134(2930)5h68121423242731H9111522H215H3t24?2728?29?30?31?3334+m0s1
ZINC000002024526
ZINC000409414390
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