Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-20-oxopregn-16-en-3-yl butanoate
Catalog ID
STL526900
SMILES CCCC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC=C2C(=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 C25H38O3 MW 386.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38O3/c1-5-6-23(27)28-18-11-13-24(3)17(15-18)7-8-19-21-10-9-20(16(2)26)25(21,4)14-12-22(19)24/h9,17-19,21-22H,5-8,10-15H2,1-4H3/t17-,18?,19?,21?,22?,24-,25+/m0/s1InChIKey
XMMKRJBCWGTPOS-PMPRLLBLSA-NSynonyms
((5~(S)10~(S)13~(S))17acetyl1013dimethyl2345678911121415dodecahydro1~(H)cyclopenta(a)phenanthren3yl)butanoate
(5alpha8xi9xi14xi)20oxopregn16en3ylbutanoate
(5S10S13S)17acetyl1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren3ylbutyrate
16397550
CCCC(=O)OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC=C2C(=O)C)C)C
InChI=1SC25H38O3c15623(27)2818111324(3)17(1518)78192110920(16(2)26)25(214)141222(19)24h917192122H581015H214H3t1718?19?21?22?2425+m0s1
MFCD03006440
ZINC000012660687
ZINC000253500138
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