Vitas-M small molecule compound
(8xi,9xi,14xi,17alpha)-17,21-epoxypregnan-3-one
Catalog ID
STL526433
SMILES O=C1CC[C@]2(C(C1)CCC1C2CC[C@]2(C1CC[C@]12CCO1)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 C21H32O2 MW 316.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)11-12-23-21/h14,16-18H,3-13H2,1-2H3/t14?,16?,17?,18?,19-,20-,21+/m0/s1InChIKey
HKZWMSPWKAUXGZ-FEFRSRAWSA-NSynonyms
(10~(S)13~(S)17~(R))1013dimethylspiro(24567891112141516dodecahydro1~(H)cyclopenta(a)phenanthrene172oxetane)3one
(2R10S13S)1013dimethyltetradecahydrospiro(cyclopenta(a)phenanthrene172oxetan)3(2H)one
(8xi9xi14xi17alpha)1721epoxypregnan3one
16395163
InChI=1SC21H32O2c1198515(22)1314(19)341617(19)6920(2)18(16)71021(20)11122321h141618H313H212H3t14?16?17?18?192021+m0s1
MFCD01083810
O=C1CC(C@)2(C(C1)CCC1C2CC(C@)2(C1CC(C@)12CCO1)C)C
ZINC000004023415
ZINC000253499464
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