Vitas-M small molecule compound
(3alpha,5alpha,8xi,9xi,14xi)-3-chloroandrostan-17-one
Catalog ID
STL526527
SMILES Cl[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[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 C19H29ClO MW 308.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29ClO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,18-,19-/m0/s1InChIKey
JBTQLUUOBPYIPP-KMMCVRKDSA-NSynonyms
(3~(R)5~(S)10~(S)13~(S))3chloro1013dimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17one
(3alpha5alpha8xi9xi14xi)3chloroandrostan17one
(3R5S10S13S)3chloro1013dimethyltetradecahydro1Hcyclopenta(a)phenanthren17(2H)one
16397355
Cl(C@@H)1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CCC2=O)C)C
InChI=1SC19H29ClOc1189713(20)1112(18)3414155617(21)19(152)10816(14)18h1216H311H212H3t1213+14?15?16?1819m0s1
MFCD02926232
ZINC000004029195
ZINC000253499537
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