Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,17beta)-17-methyl-3-oxoandrostan-17-yl acetate
Catalog ID
STL524874
SMILES O=C1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC[C@]2(C)OC(=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 C22H34O3 MW 346.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34O3/c1-14(23)25-22(4)12-9-19-17-6-5-15-13-16(24)7-10-20(15,2)18(17)8-11-21(19,22)3/h15,17-19H,5-13H2,1-4H3/t15-,17?,18?,19?,20-,21-,22-/m0/s1InChIKey
YKEIELWRIARSQU-WCYMMUEPSA-NSynonyms
((5~(S)10~(S)13~(S)17~(S))101317trimethyl3oxo24567891112141516dodecahydro1~(H)cyclopenta(a)phenanthren17yl)acetate
(5alpha8xi9xi14xi17beta)17methyl3oxoandrostan17ylacetate
(5S8R10S13S17S)101317trimethyl3oxohexadecahydro1Hcyclopenta(a)phenanthren17ylacetate
135638989
InChI=1SC22H34O3c114(23)2522(4)129191765151316(24)71020(152)18(17)81121(1922)3h151719H513H214H3t1517?18?19?202122m0s1
MFCD00372617
O=C1CC(C@)2((C@H)(C1)CC(C@@H)1C2CC(C@)2(C1CC(C@)2(C)OC(=O)C)C)C
ZINC000004074041
ZINC000005291944
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