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Chemical structure of 7-Ketolithocholic acid

GC39474

7-Ketolithocholic acid

Also known as 4-(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

7-Ketolithocholic acid (3α-hydroxy-7-oxygen-5β-cholic acid) is a kind of bile acid, 7-Ketolithocholic acid can be absorbed, 7-ketolithocholic acid inhibits the production of endogenous bile acid, and can affect the secretion of biliary cholesterol

ChemicalCAS4651-67-6MW390.56FormulaC24H38O4
CAS number
4651-67-6
Molecular weight
390.56
Formula
C24H38O4
Solubility
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7·2) (1:3): 0·25 mg/ml
InChIKey
DXOCDBGWDZAYRQ-UHFFFAOYSA-N
Catalogue number
GC39474
Brand
GLPBIO
Computed properties PubChem CID 313030 · XLogP 4.6 · TPSA 74.6 Ų · H-bond donors 2
XLogP
4.6
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C

Computed descriptors from PubChem (CID 313030), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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