Naxaprostene

3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid

Also Known As: Naxaprostene|Allergens|CG 4305|3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid|Benzoic acid, 3-[(e)-[(3ar,4s,5s,6ar)-4-[(1e,3r)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]hexahydro-5-hydroxy-2(1h)-pentalenylidene]methyl]-, rel-|3-(((3AR,4S,5S,6aR,E)-4-((R,E)-3-cyclohexyl-3-hydroxyprop-1-en-1-yl)-5-hydroxyhexahydropentalen-2(1H)-ylidene)methyl)benzoic acid|Benzoic acid, 3-((4-(3-cyclohexyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-2(1H)-pentalenylidene)methyl)-, (2E,3aalpha,4alpha(1E,3R*),5beta,6aalpha)-(+-)-|Benzoic acid, 3-[[4-(3-cyclohexyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-2(1H)-pentalenylidene]methyl]-, [2E,3a|A,4|A(1E,3R*),5|A,6a|A]-( inverted exclamation markA)-

Molecular Formula	C25H32O4
Molecular Weight	396.23007 g/mol
LogP	4.6726
Topological Polar Surface Area	77.76 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	396.23007
Monoisotopic Mass	396.23007
Heavy Atoms	29
Complexity	789.768

Chemical Identifiers

CAS Number	89955-40-8
SMILES	C1CCC(CC1)[C@H](/C=C/[C@@H]2[C@H](C[C@@H]3[C@H]2C/C(=C/C4=CC(=CC=C4)C(=O)O)/C3)O)O