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Chemical structure of Pinane Thromboxane A2

GC41174

Pinane Thromboxane A2

Also known as 7-[3-(3-hydroxyoct-1-enyl)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Pinane thromboxane A2 (PTA2) is a stable analog of TXA2

ChemicalCAS71111-01-8MW376.6FormulaC24H40O3
CAS number
71111-01-8
Molecular weight
376.6
Formula
C24H40O3
Solubility
DMF: >50 mg/ml,DMSO: >25 mg/ml,Ethanol: >100 mg/ml,PBS pH 7·2: >100 μ g/ml
InChIKey
OHJIHGVLRDHSDV-UHFFFAOYSA-N
Catalogue number
GC41174
Brand
GLPBIO
Computed properties PubChem CID 3417932 · XLogP 6.2 · TPSA 57.5 Ų · H-bond donors 2
XLogP
6.2
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
27

SMILES CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)C2(C)C)O

Computed descriptors from PubChem (CID 3417932), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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