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Chemical structure of 7α-hydroxy-4-Cholesten-3-one

GC40087

7α-hydroxy-4-Cholesten-3-one

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

7α-hydroxy-4-Cholesten-3-one is a metabolite of 7α-hydroxy cholesterol and an intermediate in the biosynthesis of bile acids

ChemicalCAS3862-25-7MW400.6FormulaC27H44O2
CAS number
3862-25-7
Molecular weight
400.6
Formula
C27H44O2
Solubility
DMSO ： 100 mg/mL (249·60 mM; Need ultrasonic)
InChIKey
IOIZWEJGGCZDOL-RQDYSCIWSA-N
Catalogue number
GC40087
Brand
GLPBIO
Computed properties PubChem CID 123743 · XLogP 7.3 · TPSA 37.3 Ų · H-bond donors 1
XLogP
7.3
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
29

SMILES C[C@H](CCCC(C)C)[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 123743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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