Vitas-M small molecule compound
(5alpha,8xi,9xi,11alpha,14xi,17xi)-11-hydroxypregnane-3,20-dione
Catalog ID
STL564692
SMILES O=C1CC[C@]2([C@H](C1)CCC1C2[C@H](O)C[C@]2(C1CCC2C(=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 C21H32O3 MW 332.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15?,16?,17?,18+,19?,20-,21+/m0/s1InChIKey
XHCCPSKYYJBSAA-DPHNLFMLSA-NSynonyms
(5alpha8xi9xi11alpha14xi17xi)11hydroxypregnane320dione
(5R8S10S11R13S17S)17acetyl11hydroxy1013dimethyltetradecahydro1Hcyclopenta(a)phenanthren3(2H)one
(5S10S11R13S)17acetyl11hydroxy1013dimethyl12456789111214151617tetradecahydrocyclopenta(a)phenanthren3one
145705534
InChI=1SC21H32O3c112(22)1667171554131014(23)8920(132)19(15)18(24)1121(1617)3h13151924H411H213H3t1315?16?17?18+19?2021+m0s1
O=C1CC(C@)2((C@@H)(C1)CC(C@@H)1C2(C@H)(O)C(C@)2(C1CC(C@@H)2C(=O)C)C)C
ZINC000005481200
ZINC001848443742
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