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Chemical structure of Prostaglandin H2

GC18381

Prostaglandin H2

Also known as (Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid

Prostaglandin H2 (PGH2) was first isolated from incubations of arachidonic acid with ovine seminal vesicle microsomes, and was described as a potent vasoconstrictor

ChemicalCAS42935-17-1MW352.5FormulaC20H32O5
CAS number
42935-17-1
Molecular weight
352.5
Formula
C20H32O5
Solubility
100mg/mL in ethanol
InChIKey
YIBNHAJFJUQSRA-YNNPMVKQSA-N
Catalogue number
GC18381
Brand
GLPBIO
Computed properties PubChem CID 445049 · XLogP 3.8 · TPSA 76 Ų · H-bond donors 2
XLogP
3.8
TPSA
76 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)O

Computed descriptors from PubChem (CID 445049), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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