7-Ketodeoxycholic acid

Catalog NumberBL-M000472
CAS Number911-40-0
Description7-Ketodeoxycholic acid is a bile acid. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol.
IUPAC Name(4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms7-Oxodeoxycholic acid; 5β-cholanic acid-3α,12α-diol-7-one; 7-Keto-3α,12-α-dihydroxycholanic acid; 3,12-Dihydroxy-7-oxocholan-24-oic acid; (3α,5β,12α)-3,12-Dihydroxy-7-oxo-cholan-24-oic Acid
Molecular Weight406.56
Molecular FormulaC24H38O5
Boiling Point583ºC at 760mmHg
Melting Point54-60ºC
Purity95%
Density1.18 g/cm3
SolubilitySoluble in Chloroform (Slightly), Methanol (Slightly)
AppearanceGreenish Yellow Solid
Shelf Life1 Year
Storage-20ºC Freezer
Percent CompositionC 70.90%, H 9.42%, O 19.68%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1
InChI KeyRHCPKKNRWFXMAT-RRWYKFPJSA-N

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