Vitas-M small molecule compound
(6alpha,8xi,9xi,14xi)-6,17-dihydroxypregnane-3,20-dione
Catalog ID
STL524615
SMILES O=C1CC[C@]2(C(C1)[C@@H](O)CC1C2CC[C@]2(C1CC[C@]2(O)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 C21H32O4 MW 348.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h14-18,24-25H,4-11H2,1-3H3/t14?,15?,16?,17?,18-,19+,20-,21-/m0/s1InChIKey
UIMNEUMKZCLQFJ-YWLPKSMWSA-NSynonyms
(5S6S8R10R13S17R)17acetyl617dihydroxy1013dimethyltetradecahydro1Hcyclopenta(a)phenanthren3(2H)one
(6~(S)10~(R)13~(S)17~(R))17acetyl617dihydroxy1013dimethyl24567891112141516dodecahydro1~(H)cyclopenta(a)phenanthren3one
(6alpha8xi9xi14xi)617dihydroxypregnane320dione
135638960
InChI=1SC21H32O4c112(22)21(25)9616141118(24)171013(23)4719(172)15(14)5820(1621)3h14182425H411H213H3t14?15?16?17?1819+2021m0s1
MFCD01545615
O=C1CC(C@)2((C@H)(C1)(C@@H)(O)C(C@@H)1C2CC(C@)2(C1CC(C@)2(O)C(=O)C)C)C
ZINC000004073960
ZINC001772491836
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