5-[(1S,2S,3aR,7aR)-2-Hydroxy-1-[(E,3R)-3-Hydroxy-4-Methyl-4-(Phenoxy)Pent-1-Enyl]-2,3,3a,6,7,7a-Hexahydro-1H-Inden-5-Yl]Pentanoic Acid
[CAS# 130377-59-2]

Identification

• Name: 5-[(1S,2S,3aR,7aR)-2-Hydroxy-1-[(E,3R)-3-Hydroxy-4-Methyl-4-(Phenoxy)Pent-1-Enyl]-2,3,3a,6,7,7a-Hexahydro-1H-Inden-5-Yl]Pentanoic Acid
• Synonyms: 5-[(1S,2S,3Ar,7Ar)-2-Hydroxy-1-[(E,3R)-3-Hydroxy-4-Methyl-4-(Phenoxy)Pent-1-Enyl]-2,3,3A,6,7,7A-Hexahydro-1H-Inden-5-Yl]Valeric Acid; 1H-Indene-5-Pentanoic Acid, 2,3,3A,6,7,7A-Hexahydro-2-Hydroxy-1-(3-Hydroxy-4-Methyl-4-Phenoxy-1-Pentenyl)-, (1S-(1Alpha(1E,3S*),2Beta,3Aalpha,7Aalpha))-; Homoisocarbacyclin
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.57
• CAS Registry Number: 130377-59-2
• SMILES: [C@@H]13[C@@H](C[C@H](O)[C@H]1\C=C\[C@@H](O)C(OC2=CC=CC=C2)(C)C)C=C(CC3)CCCCC(=O)O
• InChI: 1S/C26H36O5/c1-26(2,31-20-9-4-3-5-10-20)24(28)15-14-22-21-13-12-18(8-6-7-11-25(29)30)16-19(21)17-23(22)27/h3-5,9-10,14-16,19,21-24,27-28H,6-8,11-13,17H2,1-2H3,(H,29,30)/b15-14+/t19-,21-,22+,23+,24-/m1/s1
• InChIKey: APARNMGVZWWLMV-ZEYCUZRTSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 600.125°C at 760 mmHg (Cal.)
• Flash point: 197.687°C (Cal.)