Vitas-M small molecule compound
(3alpha,5alpha,8xi,9xi,14xi,17xi)-11-oxopregnane-3,20-diyl diacetate
Catalog ID
STL524716
SMILES CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2C(=O)C[C@]2(C1CCC2C(OC(=O)C)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 C25H38O5 MW 418.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38O5/c1-14(29-15(2)26)20-8-9-21-19-7-6-17-12-18(30-16(3)27)10-11-24(17,4)23(19)22(28)13-25(20,21)5/h14,17-21,23H,6-13H2,1-5H3/t14?,17-,18+,19?,20?,21?,23?,24-,25+/m0/s1InChIKey
YFQHKGUJGTVODY-RUSZJUGESA-NSynonyms
((3~(R)5~(S)10~(S)13~(S))17(1acetyloxyethyl)1013dimethyl11oxo1234567891214151617tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3alpha5alpha8xi9xi14xi17xi)11oxopregnane320diyldiacetate
(S)1((3R5R8S9S10S13S14S17S)3acetoxy1013dimethyl11oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)ethylacetate
135638972
CC(=O)O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(=O)C(C@)2((C@H)1CC(C@@H)2(C@@H)(OC(=O)C)C)C)C
InChI=1SC25H38O5c114(2915(2)26)2089211976171218(3016(3)27)101124(174)23(19)22(28)1325(2021)5h14172123H613H215H3t14?1718+19?20?21?23?2425+m0s1
MFCD01546252
ZINC001772491911
ZINC001772491917
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