Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-16,17-epoxypregnane-3,20-dione
Catalog ID
STL526071
SMILES O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@@H]1[C@]2(O1)C(=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 C21H30O3 MW 330.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h13,15-18H,4-11H2,1-3H3/t13-,15?,16?,17?,18+,19-,20-,21+/m0/s1InChIKey
JMIZEABJISSYOQ-NMWCARGQSA-NSynonyms
(2aS6aS8aS8bS9aR10bR)8bacetyl6a8adimethyltetradecahydro1Hnaphtho(2145)indeno(12b)oxiren4(2H)one
(4~(R)6~(S)7~(S)11~(S)16~(S))6acetyl711dimethyl5oxapentacyclo(8800^(27)0^(46)0^(1116))octadecan14one
(5alpha8xi9xi14xi16alpha)1617epoxypregnane320dione
135639118
InChI=1SC21H30O3c112(22)2118(2421)11171554131014(23)6819(132)16(15)7920(1721)3h131518H411H213H3t1315?16?17?18+192021+m0s1
MFCD02925575
O=C1CC(C@)2((C@H)(C1)CC(C@@H)1C2CC(C@)2(C1C(C@@H)1(C@)2(O1)C(=O)C)C)C
ZINC000004082196
ZINC000005639582
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