3-[(Z)-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-Cyclohexyl-3-Hydroxyprop-1-Enyl]-5-Hydroxy-3,3a,4,5,6,6a-Hexahydrocyclopenta[d]Furan-2-Ylidene]Methyl]Benzoic Acid
[CAS# 108945-35-3]

Identification

• Name: 3-[(Z)-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-Cyclohexyl-3-Hydroxyprop-1-Enyl]-5-Hydroxy-3,3a,4,5,6,6a-Hexahydrocyclopenta[d]Furan-2-Ylidene]Methyl]Benzoic Acid
• Synonyms: 3-[(Z)-[(3Ar,4R,5R,6As)-4-[(E,3S)-3-Cyclohexyl-3-Hydroxy-Prop-1-Enyl]-5-Hydroxy-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Furan-2-Ylidene]Methyl]Benzoic Acid; Taprostenum [Latin]; Alpha-((2Z,3Ar,4R,5R,6As)-4-((1E,3S)-3-Cyclohexyl-3-Hydroxypropenyl)Hexahydro-5-Hydroxy-2H-Cyclopenta(B)Furan-2-Ylidene)-M-Toluic Acid
• Molecular Formula: C₂₄H₃₀O₅
• Molecular Weight: 398.50
• CAS Registry Number: 108945-35-3
• SMILES: [C@@H]13[C@@H](OC(/C1)=C\C2=CC=CC(=C2)C(O)=O)C[C@H]([C@@H]3\C=C\[C@H](C4CCCCC4)O)O
• InChI: 1S/C24H30O5/c25-21(16-6-2-1-3-7-16)10-9-19-20-13-18(29-23(20)14-22(19)26)12-15-5-4-8-17(11-15)24(27)28/h4-5,8-12,16,19-23,25-26H,1-3,6-7,13-14H2,(H,27,28)/b10-9+,18-12-/t19-,20-,21-,22-,23+/m1/s1
• InChIKey: ZLJOKYGJNOQXDP-OZUBPDBUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 609.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 209.2±25.0°C (Cal.)