2-[2-[(1R,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]Ethoxy]Acetic Acid
[CAS# 127127-92-8]

Identification

• Name: 2-[2-[(1R,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]Ethoxy]Acetic Acid
• Synonyms: 2-[2-[(1R,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]Ethoxy]Ethanoic Acid; 3-Oxahomoisocarbacyclin
• Molecular Formula: C₂₅H₃₄O₆
• Molecular Weight: 430.54
• CAS Registry Number: 127127-92-8
• 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)CCOCC(=O)O
• InChI: 1S/C25H34O6/c1-25(2,31-19-6-4-3-5-7-19)23(27)11-10-21-20-9-8-17(12-13-30-16-24(28)29)14-18(20)15-22(21)26/h3-7,10-11,14,18,20-23,26-27H,8-9,12-13,15-16H2,1-2H3,(H,28,29)/b11-10+/t18-,20-,21-,22+,23-/m1/s1
• InChIKey: MYKBQVAHYUHFQI-LKZKSTISSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 617.658°C at 760 mmHg (Cal.)
• Flash point: 206.166°C (Cal.)