Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi)-17-hydroxy-3,20-dioxopregnan-21-yl acetate
Catalog ID
STK753118
SMILES O=C1CCC2(C(C1)CCC1C2CCC2(C1CC[C@]2(O)C(=O)COC(=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 C23H34O5 MW 390.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15,17-19,27H,4-13H2,1-3H3/t15?,17?,18?,19?,21?,22?,23-/m0/s1InChIKey
SDSTWQKFZBIDEK-CCAGBGTASA-NSynonyms
(2((17R)17hydroxy1013dimethyl3oxo24567891112141516dodecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl)acetate
(8XI9XI10XI13XI14XI)17HYDROXY320DIOXOPREGNAN21YLACETATE
2((5S8R10S13S17R)17hydroxy1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethylacetate
CC(=O)OCC(=O)C1(CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O
InChI=1SC23H34O5c114(24)281320(26)23(27)118191754151216(25)6921(152)18(17)71022(1923)3h15171927H413H213H3t15?17?18?19?21?22?23m0s1
MFCD00822673
O=C1CC(C@)2((C@H)(C1)CC(C@@H)1C2CC(C@)2(C1CC(C@)2(O)C(=O)COC(=O)C)C)C
O=C1CCC2(C(C1)CCC1C2CCC2(C1CC(C@)2(O)C(=O)COC(=O)C)C)C
ZINC000004692542
ZINC000012379873
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