7-ketolithocholic acid - CAS 4651-67-6

Catalog: BB026144
Product Name: 7-ketolithocholic acid
CAS: 4651-67-6
Synonyms: 3alpha-Hydroxy-7-oxo-5beta-cholanic acid; 7-Oxolithocholic acid; Nutriacholic acid; Ursodeoxycholic Acid EP Impurity F
7-ketolithocholic acid
IUPAC Name:(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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
Description:7-ketolithocholic acid is a derivative of Lithocholic Acid, a cholic acid derivative as TGR5 modulator.
Molecular Weight:390.56
Molecular Formula:C24H38O4
Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C
InChI:InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1
InChI Key:DXOCDBGWDZAYRQ-AURDAFMXSA-N
Boiling Point:545.9 ℃ at 760 mmHg
Melting Point:198-200 ℃
Purity:> 99 %
Density:1.124 g/cm3
Solubility:Soluble in Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:White to off-white solid
Shelf Life:1 Year
Storage:Store at -20 ℃
MDL:MFCD00271393
LogP:4.68610

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