3-oxo-4-cholestenoic acid

Catalog NumberBL-M001325
CAS Number309762-85-4
Description3-oxo-4-cholestenoic acid can be used as an inducer ligand for the TetR-like repressor (KstR) of M. smegmatis.
IUPAC Name(2R,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Synonyms(25R)-Delta(4)-dafachronic acid; (25R)-3-ketocholest-4-en-26-oic acid; 3-oxo-4-cholesten-26-oate; Cholest-4-en-26-oic acid, 3-oxo
Molecular Weight414.62
Molecular FormulaC27H42O3
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 78.21%, H 10.21%, O 11.58%
Canonical SMILESCC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChIInChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1
InChI KeyPSXQJZDFWDKBIP-MNVVPKPGSA-N

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