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Chemical structure of 7-Ketodeoxycholic acid

GC55814

7-Ketodeoxycholic acid

Also known as (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

7-Ketodeoxycholic acid is a bile acid derivative that is a metabolite of bile acid in Clostridium absonum· It can also be converted by Lactobacillus and Bifidobacterium under certain conditions

ChemicalCAS911-40-0MW406.56FormulaC24H38O5
CAS number
911-40-0
Molecular weight
406.56
Formula
C24H38O5
Solubility
DMSO ： 100 mg/mL (245·97 mM; Need ultrasonic)
InChIKey
RHCPKKNRWFXMAT-RRWYKFPJSA-N
Catalogue number
GC55814
Brand
GLPBIO
Computed properties PubChem CID 188292 · XLogP 3.3 · TPSA 94.8 Ų · H-bond donors 3
XLogP
3.3
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed descriptors from PubChem (CID 188292), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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