(2E,5E)-7-[(1R)-2beta-[(E,R)-4-(3-Chlorophenoxy)-3-Hydroxy-1-Butenyl]-3alpha,5alpha-Dihydroxycyclopentan-1alpha-Yl]-2,5-Heptadienoic Acid Methyl Ester
[CAS# 68399-12-2]

Identification

• Name: (2E,5E)-7-[(1R)-2beta-[(E,R)-4-(3-Chlorophenoxy)-3-Hydroxy-1-Butenyl]-3alpha,5alpha-Dihydroxycyclopentan-1alpha-Yl]-2,5-Heptadienoic Acid Methyl Ester
• Synonyms: Methyl (2E,5E)-7-[(2R)-2-[(E,3R)-4-(3-Chlorophenoxy)-3-Hydroxy-But-1-Enyl]-3,5-Dihydroxy-Cyclopentyl]Hepta-2,5-Dienoate; (2E,5E)-7-[(2R)-2-[(E,3R)-4-(3-Chlorophenoxy)-3-Hydroxybut-1-Enyl]-3,5-Dihydroxycyclopentyl]Hepta-2,5-Dienoic Acid Methyl Ester; (2E,5E)-7-[(2R)-2-[(E,3R)-4-(3-Chlorophenoxy)-3-Hydroxy-But-1-Enyl]-3,5-Dihydroxy-Cyclopentyl]Hepta-2,5-Dienoic Acid Methyl Ester
• Molecular Formula: C₂₃H₂₉ClO₆
• Molecular Weight: 436.93
• CAS Registry Number: 68399-12-2
• SMILES: [C@H]1(C(C(O)CC1O)C\C=C\C\C=C\C(OC)=O)\C=C\[C@@H](O)COC2=CC=CC(=C2)Cl
• InChI: 1S/C23H29ClO6/c1-29-23(28)10-5-3-2-4-9-19-20(22(27)14-21(19)26)12-11-17(25)15-30-18-8-6-7-16(24)13-18/h2,4-8,10-13,17,19-22,25-27H,3,9,14-15H2,1H3/b4-2+,10-5+,12-11+/t17-,19?,20-,21?,22?/m1/s1
• InChIKey: FNAMRDZHKYQEBA-QSDQAJIBSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 592.569°C at 760 mmHg (Cal.)
• Flash point: 312.175°C (Cal.)