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Chemical structure of 8-iso Prostaglandin E2 isopropyl ester

GC42629

8-iso Prostaglandin E2 isopropyl ester

Also known as propan-2-yl (Z)-7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

8-iso PGE2 isopropyl ester is a more lipophilic form of the free acid, 8-iso PGE2

ChemicalCAS330589-21-4MW394.6FormulaC23H38O5
CAS number
330589-21-4
Molecular weight
394.6
Formula
C23H38O5
Solubility
DMF： >30 mg/ml (from PGF2a isopropy,DMSO： >50 mg/ml (from PGF2a isopropy,Ethanol： >50 mg/ml (from PGF2a isopropy,PBS pH 7·2： ＜50 μ g/ml (from PGF2a isopropy
InChIKey
NOHLKSJQMSPOTB-YRLDPNHWSA-N
Catalogue number
GC42629
Brand
GLPBIO
Computed properties PubChem CID 35021850 · XLogP 3.9 · TPSA 83.8 Ų · H-bond donors 2
XLogP
3.9
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
28

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

Computed descriptors from PubChem (CID 35021850), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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