Structure

Naxaprostene

CAS
87269-59-8
Catalog Number
ACM87269598
Category
Other Products
Molecular Weight
396.524
Molecular Formula
C25H32O4

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Specification

Synonyms
Naxaprostene, Allergens, Naxaprostene [INN], CG-4305, CID6446653, 87269-59-8, alpha-((2E,3aS,4R,5R,6aS)-4-((1E,3S)-3-Cyclohexyl-3-hydroxypropenyl)hexahydro-5-hydroxy-2(1H)-pentalenylidene)-m-toluic acid
IUPAC Name
3-[(E)-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
Canonical SMILES
C1CCC(CC1)C(C=CC2C(CC3C2CC(=CC4=CC(=CC=C4)C(=O)O)C3)O)O
InChI Key
OINUMRGCICIETD-CGKNXJIZSA-N
Boiling Point
596.4ºC at 760 mmHg
Flash Point
328.5ºC
Density
1.262g/cm³
Appearance
A solution in methyl acetate
Exact Mass
396.23000
H-Bond Acceptor
4
H-Bond Donor
3
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