Vitas-M small molecule compound
(5alpha,6alpha,8xi,9xi,14xi)-3-hydroxy-5,6-epoxyandrostan-17-one
Catalog ID
STL526276
SMILES OC1CC[C@]2([C@@]3(C1)O[C@H]3CC1C2CC[C@]2(C1CCC2=O)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 C19H28O3 MW 304.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28O3/c1-17-7-6-14-12(13(17)3-4-15(17)21)9-16-19(22-16)10-11(20)5-8-18(14,19)2/h11-14,16,20H,3-10H2,1-2H3/t11?,12?,13?,14?,16-,17-,18+,19-/m0/s1InChIKey
RPCXNBAEOGUYLZ-KRVSWBDOSA-NSynonyms
(2~(R)7~(R)9~(S)16~(S))5hydroxy216dimethyl8oxapentacyclo(9700^(27)0^(79)0^(1216))octadecan15one
(3S4aR5aS6aR9aS11bR)3hydroxy9a11bdimethyltetradecahydrocyclopenta(12)phenanthro(8a9b)oxiren9(2H)one
(5alpha6alpha8xi9xi14xi)3hydroxy56epoxyandrostan17one
135639149
InChI=1SC19H28O3c117761412(13(17)3415(17)21)91619(2216)1011(20)5818(1419)2h11141620H310H212H3t11?12?13?14?161718+19m0s1
MFCD01544426
O(C@H)1CC(C@)2((C@@)3(C1)O(C@H)3C(C@@H)1C2CC(C@)2(C1CCC2=O)C)C
ZINC000005359865
ZINC000257346129
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