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Chemical structure of Bicyclo Prostaglandin E1

GC41139

Bicyclo Prostaglandin E1

Also known as 7-[(1R,3aS,7aS)-4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]heptanoic acid

Bicyclo Prostaglandin E1 (bicyclo PGE1) is a stable, base-catalyzed transformation product of the PGE1 metabolite 13,14-dihydro-15-keto PGE1

ChemicalCAS1283861-32-4MW336.5FormulaC20H32O4
CAS number
1283861-32-4
Molecular weight
336.5
Formula
C20H32O4
Solubility
DMF： >25 mg/ml (from Bicyclo PGE2),DMSO： >25 mg/ml (from Bicyclo PGE2),Ethanol： >30 mg/ml (from Bicyclo PGE2),PBS pH 7·2： >1·4 mg/ml (from Bicyclo PGE2)
InChIKey
SMKXBJMWSIFUAU-YKNYVSNTSA-N
Catalogue number
GC41139
Brand
GLPBIO
Computed properties PubChem CID 91871644 · XLogP 3.9 · TPSA 71.4 Ų · H-bond donors 1
XLogP
3.9
TPSA
71.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
24

SMILES CCCCC1[C@H]2CC(=O)[C@@H]([C@H]2CCC1=O)CCCCCCC(=O)O

Computed descriptors from PubChem (CID 91871644), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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