Vitas-M small molecule compound
(8xi,9xi,14xi)-6,16-dimethylidene-3,20-dioxopregn-4-en-17-yl acetate
Catalog ID
STL525084
SMILES O=C1CC[C@]2(C(=C1)C(=C)CC1C2CC[C@]2(C1CC(=C)[C@]2(OC(=O)C)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 C25H32O4 MW 396.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h13,19-20,22H,1-2,7-12H2,3-6H3/t19?,20?,22?,23-,24+,25+/m1/s1InChIKey
WJFDQNDYQVFWKP-PQQMIVRBSA-NSynonyms
80097-73-0((10~(R)13~(S)17~(R))17acetyl1013dimethyl616dimethylidene3oxo278911121415octahydro1~(H)cyclopenta(a)phenanthren17yl)acetate
(10R13S17R)17acetyl1013dimethyl616dimethylene3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17ylacetate
(8xi9xi14xi)616dimethylidene320dioxopregn4en17ylacetate
16395932
80097730
InChI=1SC25H32O4c114111920(23(5)9718(28)1321(14)23)81024(6)22(19)1215(2)25(2416(3)26)2917(4)27h13192022H12712H236H3t19?20?22?2324+25+m1s1
MFCD01546987
O=C1CC(C@)2(C(=C1)C(=C)CC1C2CC(C@)2(C1CC(=C)(C@)2(OC(=O)C)C(=O)C)C)C
ZINC000004026391
ZINC000004026394
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