(5E)-5-[(3aS,4S,5R,6aS)-5-Hydroxy-4-[(1-Hydroxycyclohexyl)Ethynyl]Hexahydro-2(1H)-Pentalenylidene]Pentanoic Acid
[CAS# 145375-81-1]

Identification

• Name: (5E)-5-[(3aS,4S,5R,6aS)-5-Hydroxy-4-[(1-Hydroxycyclohexyl)Ethynyl]Hexahydro-2(1H)-Pentalenylidene]Pentanoic Acid
• Synonyms: "13,14-dehydro-15-cyclohexyl Carbaprostacyclin"; " 6,9α-methylene-11α-hydroxy-15,16,17,18,19,20-hexanor-14-(1-hydroxycyclohexyl)-prost-5E-en-13-yn-1-oic acid"
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.46
• CAS Registry Number: 145375-81-1
• SMILES: O=C(O)CCC/C=C2\C[C@H]3C[C@@H](O)[C@H](C#CC1(O)CCCCC1)[C@H]3C2
• InChI: 1S/C21H30O4/c22-19-14-16-12-15(6-2-3-7-20(23)24)13-18(16)17(19)8-11-21(25)9-4-1-5-10-21/h6,16-19,22,25H,1-5,7,9-10,12-14H2,(H,23,24)/b15-6+/t16-,17+,18-,19+/m0/s1
• InChIKey: LGIPMFCHTFFLFR-PRYZLTTQSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 559.898°C at 760 mmHg (Cal.)
• Flash point: 306.471°C (Cal.)
• Refractive index: 1.583 (Cal.)