Vitas-M small molecule compound
(3alpha,5alpha,8xi,9xi,14xi,17xi)-11,20-dioxopregnan-3-yl acetate
Catalog ID
STL564385
SMILES CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2C(=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 C23H34O4 MW 374.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h15-19,21H,5-12H2,1-4H3/t15-,16+,17?,18?,19?,21?,22-,23+/m0/s1InChIKey
NNMJHVBZUSISMC-WPVWEOLOSA-NSynonyms
((3R5S10S13S)17acetyl1013dimethyl11oxo1234567891214151617tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3alpha5alpha8xi9xi14xi17xi)1120dioxopregnan3ylacetate
(3R5S8S10S13S17S)17acetyl1013dimethyl11oxohexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
145705488
CC(=O)O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1C2C(=O)C(C@)2(C1CC(C@@H)2C(=O)C)C)C
InChI=1SC23H34O4c113(24)1878191765151116(2714(2)25)91022(153)21(17)20(26)1223(1819)4h151921H512H214H3t1516+17?18?19?21?2223+m0s1
ZINC000005228636
ZINC000257357338
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