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Chemical structure of Cholesterol Phenylacetate

GD06945

Cholesterol Phenylacetate

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

Cholesterol Phenylacetate is a sterol ester that characterized by the presence of a double bond in the B ring of the steroid nucleus and an additional double bond on the phenylacetate side chain

ChemicalCAS33998-26-4MW504.786FormulaC35H52O2
CAS number
33998-26-4
Molecular weight
504.786
Formula
C35H52O2
InChIKey
JHFRODPXYCPTCM-WASXNZKASA-N
Catalogue number
GD06945
Brand
GLPBIO
Computed properties PubChem CID 118127 · XLogP 10.7 · TPSA 26.3 Ų · H-bond donors 0
XLogP
10.7
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
37

SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=CC=C5)C)C

Computed descriptors from PubChem (CID 118127), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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