Vitas-M small molecule compound
(3alpha,8xi,17xi,20xi)-7-oxocholest-5-en-3-yl acetate
Catalog ID
STL524597
SMILES CC(CCCC(C1CC[C@@H]2[C@]1(C)CC[C@H]1C2C(=O)C=C2[C@]1(C)CC[C@H](C2)OC(=O)C)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 C29H46O3 MW 442.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19?,22-,23?,24+,25+,27?,28+,29-/m1/s1InChIKey
PMBSWZWCNKVWLV-OWIRVTTNSA-NSynonyms
((3~(R)9~(S)10~(R)13~(R)14~(S))1013dimethyl17(6methylheptan2yl)7oxo123489111214151617dodecahydrocyclopenta(a)phenanthren3yl)acetate
(3alpha8xi17xi20xi)7oxocholest5en3ylacetate
(3S8S10R13R17R)1013dimethyl17((R)6methylheptan2yl)7oxo2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
75366887
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2C(=O)C=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C)C)C
InChI=1SC29H46O3c118(2)87919(3)231011242725(131529(2324)6)28(5)141222(3220(4)30)1621(28)1726(27)31h1719222527H716H216H3t19?2223?24+25+27?28+29m1s1
MFCD01546603
ZINC000001689664
ZINC000253534210
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