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Chemical structure of 3-Oxo-7-hydroxychol-4-enoic acid

GC64220

3-Oxo-7-hydroxychol-4-enoic acid

Also known as (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

3-Oxo-7-hydroxychol-4-enoic acid is an endogenous metabolite

ChemicalCAS14772-95-3MW388.54FormulaC24H36O4
CAS number
14772-95-3
Molecular weight
388.54
Formula
C24H36O4
Solubility
DMSO ： ≥ 100 mg/mL (257·37 mM)
InChIKey
CFLVYJJIZHNITM-NLXMLWGDSA-N
Catalogue number
GC64220
Brand
GLPBIO
Computed properties PubChem CID 193493 · XLogP 4.2 · TPSA 74.6 Ų · H-bond donors 2
XLogP
4.2
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C

Computed descriptors from PubChem (CID 193493), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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