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Chemical structure of 3β-hydroxy-5-Cholestenoic Acid

GC18817

3β-hydroxy-5-Cholestenoic Acid

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

3β-hydroxy-5-Cholestenoic acid is an active metabolite of cholesterol formed when cholesterol is metabolized by the cytochrome P450 (CYP) isomer CYP27A1

ChemicalCAS6561-58-6MW416.6FormulaC27H44O3
CAS number
6561-58-6
Molecular weight
416.6
Formula
C27H44O3
Solubility
Soluble in DMSO
InChIKey
WVXOMPRLWLXFAP-AMQKJUDNSA-N
Catalogue number
GC18817
Brand
GLPBIO
Computed properties PubChem CID 165511 · XLogP 7.1 · TPSA 57.5 Ų · H-bond donors 2
XLogP
7.1
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30

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

Computed descriptors from PubChem (CID 165511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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