7-Ketodeoxycholic acid
Catalog Number | BL-M000472 |
CAS Number | 911-40-0 |
Description | 7-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 |
Synonyms | 7-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 Weight | 406.56 |
Molecular Formula | C24H38O5 |
Boiling Point | 583°C at 760mmHg |
Melting Point | 54-60°C |
Purity | 95% |
Density | 1.18 g/cm3 |
Solubility | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance | Greenish Yellow Solid |
Shelf Life | 1 Year |
Storage | -20°C Freezer |
Percent Composition | C 70.90%, H 9.42%, O 19.68% |
Canonical SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C |
InChI | InChI=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 Key | RHCPKKNRWFXMAT-RRWYKFPJSA-N |
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