(Z)-7-[(1S,2S,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoic Acid
[CAS# 39265-67-3]

Identification

• Name: (Z)-7-[(1S,2S,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoic Acid
• Synonyms: (Z)-7-[(1S,2S,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1S,2S,3R)-3-Hydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]-5-Keto-Cyclopentyl]Hept-5-Enoic Acid; 8,12-Epi-Pge2
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47
• CAS Registry Number: 39265-67-3
• SMILES: [C@@H]1([C@@H](C(=O)C[C@H]1O)C\C=C/CCCC(=O)O)\C=C\[C@@H](O)CCCCC
• InChI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m0/s1
• InChIKey: XEYBRNLFEZDVAW-BSBCLDFQSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 530.071°C at 760 mmHg (Cal.)
• Flash point: 288.452°C (Cal.)