(3E,5Z)-7-[(1R)-3alpha,5alpha-Dihydroxy-2beta-[(E,R)-4-Phenoxy-3-Hydroxy-1-Butenyl]Cyclopentan-1alpha-Yl]-3,5-Heptadienoic Acid Methyl Ester
[CAS# 64812-67-5]

Identification

• Name: (3E,5Z)-7-[(1R)-3alpha,5alpha-Dihydroxy-2beta-[(E,R)-4-Phenoxy-3-Hydroxy-1-Butenyl]Cyclopentan-1alpha-Yl]-3,5-Heptadienoic Acid Methyl Ester
• Synonyms: (3E,5Z)-7-[(2R)-3,5-Dihydroxy-2-[(E,3R)-3-Hydroxy-4-(Phenoxy)But-1-Enyl]Cyclopentyl]Hepta-3,5-Dienoic Acid Methyl Ester; 16-Phenoxy-17,18,19,20-Tetranor-3,4-Trans-Didehydroprostaglandin F2-Alpha Methyl Ester; 3,5-Heptadienoic Acid, 7-(3,5-Dihydroxy-2-(3-Hydroxy-4-Phenoxy-1-Butenyl)Cyclope
• Molecular Formula: C₂₃H₃₀O₆
• Molecular Weight: 402.49
• CAS Registry Number: 64812-67-5
• SMILES: [C@H]1(C(C(O)CC1O)C\C=C/C=C/CC(OC)=O)\C=C\[C@@H](O)COC2=CC=CC=C2
• InChI: 1S/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h2-10,13-14,17,19-22,24-26H,11-12,15-16H2,1H3/b7-2-,8-3+,14-13+/t17-,19?,20-,21?,22?/m1/s1
• InChIKey: XIVGINHUYULOGM-PDNJMGDMSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 570.931°C at 760 mmHg (Cal.)
• Flash point: 192.1°C (Cal.)