Vitas-M small molecule compound
(6alpha,8xi,9xi,14xi)-6-hydroxy-3-oxoandrostan-17-yl acetate
Catalog ID
STL564468
SMILES CC(=O)OC1CCC2[C@]1(C)CCC1C2C[C@@H](C2[C@]1(C)CCC(=O)C2)O
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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)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h14-19,24H,4-11H2,1-3H3/t14?,15?,16?,17?,18-,19?,20+,21-/m0/s1InChIKey
HSNVQLQKVPNOCK-WFYHTURFSA-NSynonyms
((6S10R13S)6hydroxy1013dimethyl3oxo12456789111214151617tetradecahydrocyclopenta(a)phenanthren17yl)acetate
(5S6S8R10R13S17R)6hydroxy1013dimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17ylacetate
(6alpha8xi9xi14xi)6hydroxy3oxoandrostan17ylacetate
145705498
CC(=O)O(C@@H)1CCC2(C@)1(C)CCC1(C@H)2C(C@@H)((C@@H)2(C@)1(C)CCC(=O)C2)O
InChI=1SC21H32O4c112(22)25195415141118(24)171013(23)6820(172)16(14)7921(1519)3h141924H411H213H3t14?15?16?17?1819?20+21m0s1
ZINC000004023074
ZINC001848443599
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