(5Z)-5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2(1H)-pentalenylidene]pentanoic acid
[CAS# 69609-77-4]

Identification

• Name: (5Z)-5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2(1H)-pentalenylidene]pentanoic acid
• Synonyms: " 6,9α-methylene-11α,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid" ; 5-[(3aS,4R,5R,6aS)-5-Hydroxy-4-((S)-3-hydroxy-oct-1-enyl)-hexahydro-pentalen-(2Z)-ylidene]-pentanoic acid; 5-[5-Hydroxy-4-(3-hydroxy-oct-1-enyl)-hexahydro-pentalen-2-ylidene]-pentanoic acidCarbacyclin
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.49
• CAS Registry Number: 69609-77-4
• SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O)O
• InChI: 1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
• InChIKey: XZFRIPGNUQRGPI-WLPVIMDJSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 514.8±50.0°C at 760 mmHg (Cal.)
• Flash point: 279.2±26.6°C (Cal.)