17,20-Dimethylisocarbacyclin
[CAS# 122168-74-5]

Identification

• Name: 17,20-Dimethylisocarbacyclin
• Synonyms: 5-[(3Ar,5S,6S,6Ar)-5-Hydroxy-6-[(E,3R)-3-Hydroxynon-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Valeric Acid; Tei 9063; 17,20-Dimethylisocarbacyclin
• Molecular Formula: C₂₂H₃₆O₄
• Molecular Weight: 364.52
• CAS Registry Number: 122168-74-5
• SMILES: [C@@H]12[C@@H](C[C@H](O)[C@H]1\C=C\[C@H](O)CCCCCC)C=C(C2)CCCCC(=O)O
• InChI: 1S/C22H36O4/c1-2-3-4-5-9-18(23)11-12-19-20-14-16(8-6-7-10-22(25)26)13-17(20)15-21(19)24/h11-13,17-21,23-24H,2-10,14-15H2,1H3,(H,25,26)/b12-11+/t17-,18-,19+,20-,21+/m1/s1
• InChIKey: YEZIMJFDHJLYCT-DLPDBRSHSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 519.285°C at 760 mmHg (Cal.)
• Flash point: 281.936°C (Cal.)