3-oxo deoxycholic acid

Catalog NumberBL-M000485
CAS Number4185-01-7
Description3-oxo deoxycholic acid is used in research for its potential anticancer properties by inducing apoptosis and inhibiting cell proliferation in various cancer cell lines.
IUPAC Name(4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms12alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid; 3-dehydrodeoxycholic acid; (5β,12α)-12-Hydroxy-3-oxo-cholan-24-oic Acid
Molecular Weight390.56
Molecular FormulaC24H38O4
Melting Point>105°C (dec.)
Purity>99%
SolubilitySoluble in Chloroform (Slightly), Methanol (Slightly)
AppearanceWhite to Off-white Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 73.81%, H 9.81%, O 16.39%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(=O)C4)C)O)C
InChIInChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChI KeyWMUMZOAFCDOTRW-OVEHVULHSA-N

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