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Chemical structure of 15-deoxy-Δ-12,14-Prostaglandin J2

GC13960

15-deoxy-Δ-12,14-Prostaglandin J2

Also known as (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

15-deoxy-Δ-12,14-Prostaglandin J2 (15d-PGJ2) is a cyclopentenone prostaglandin and a metabolite of PGD2

ChemicalCAS87893-55-8MW316.44FormulaC20H28O3
CAS number
87893-55-8
Molecular weight
316.44
Formula
C20H28O3
Solubility
DMF： >100 mg/ml (from PGD2), DMSO： >20 mg/ml, Ethanol： >75 mg/ml (from PGD2)
InChIKey
VHRUMKCAEVRUBK-GODQJPCRSA-N
Catalogue number
GC13960
Brand
GLPBIO
Computed properties PubChem CID 5311211 · XLogP 5 · TPSA 54.4 Ų · H-bond donors 1
XLogP
5
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
23

SMILES CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)O

Computed descriptors from PubChem (CID 5311211), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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