Vitas-M small molecule compound
(9beta,11alpha,17xi)-3,11-dihydroxy-3,9-epoxypregnan-20-one
Catalog ID
STL527359
SMILES CC(=O)C1CC[C@@H]2[C@]1(C)C[C@@H](O)[C@@]13[C@H]2CCC2[C@]3(C)CC[C@@](O1)(O)C2
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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 C21H32O4 MW 348.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O4/c1-12(22)14-6-7-15-16-5-4-13-10-20(24)9-8-19(13,3)21(16,25-20)17(23)11-18(14,15)2/h13-17,23-24H,4-11H2,1-3H3/t13?,14?,15-,16-,17+,18+,19-,20-,21+/m0/s1InChIKey
NDLBEKCFQBTFIE-WXQADECSSA-NSynonyms
(9beta11alpha17xi)311dihydroxy39epoxypregnan20one
1((3S8S9S10S11R13S14S17S)311dihydroxy1013dimethylhexadecahydro39epoxycyclopenta(a)phenanthren17yl)ethanone
CC(=O)(C@H)1CC(C@@H)2(C@)1(C)C(C@@H)(O)(C@@)13(C@H)2CCC2(C@)3(C)CC(C@@)(O1)(O)C2
InChI=1SC21H32O4c112(22)1467151654131020(24)9819(133)21(162520)17(23)1118(1415)2h13172324H411H213H3t13?14?151617+18+192021+m0s1
MFCD03267574
ZINC000252694598
ZINC001772492269
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