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Chemical structure of 15-deoxy-δ12,14-Prostaglandin J2-d4

GC46447

15-deoxy-δ12,14-Prostaglandin J2-d4

Also known as (Z)-3,3,4,4-tetradeuterio-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

An internal standard for the quantification of 15deoxyΔ12,14prostaglandin J2

ChemicalCAS1542166-82-4MW320.5FormulaC20H24D4O3
CAS number
1542166-82-4
Molecular weight
320.5
Formula
C20H24D4O3
Solubility
DMF： >100 mg/ml (from PGD2),DMSO： >50 mg/ml (from PGD2),Ethanol： >75 mg/ml (from PGD2),PBS pH 7·2： >2·7 mg/ml (from 15–deoxy–d12,
InChIKey
VHRUMKCAEVRUBK-NSTSLKHFSA-N
Catalogue number
GC46447
Brand
GLPBIO
Computed properties PubChem CID 156593928 · 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 [2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@H]\1C=CC(=O)/C1=C/C=C/CCCCC

Computed descriptors from PubChem (CID 156593928), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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