(Z)-7-[(1R)-2beta-[(E,S)-5-(3-Chlorophenyl)-3-Hydroxy-5-Oxo-1-Pentenyl]-3alpha,5alpha-Dihydroxycyclopentan-1alpha-Yl]-5-Heptenoic Acid Methyl Ester
[CAS# 62429-47-4]

Identification

• Name: (Z)-7-[(1R)-2beta-[(E,S)-5-(3-Chlorophenyl)-3-Hydroxy-5-Oxo-1-Pentenyl]-3alpha,5alpha-Dihydroxycyclopentan-1alpha-Yl]-5-Heptenoic Acid Methyl Ester
• Synonyms: Methyl (Z)-7-[(2R)-2-[(E,3S)-5-(3-Chlorophenyl)-3-Hydroxy-5-Oxo-Pent-1-Enyl]-3,5-Dihydroxy-Cyclopentyl]Hept-5-Enoate; (Z)-7-[(2R)-2-[(E,3S)-5-(3-Chlorophenyl)-3-Hydroxy-5-Oxopent-1-Enyl]-3,5-Dihydroxycyclopentyl]Hept-5-Enoic Acid Methyl Ester; (Z)-7-[(2R)-2-[(E,3S)-5-(3-Chlorophenyl)-3-Hydroxy-5-Keto-Pent-1-Enyl]-3,5-Dihydroxy-Cyclopentyl]Hept-5-Enoic Acid Methyl Ester
• Molecular Formula: C₂₄H₃₁ClO₆
• Molecular Weight: 450.96
• CAS Registry Number: 62429-47-4
• SMILES: [C@H]1(C(C(O)CC1O)C\C=C/CCCC(OC)=O)\C=C\[C@@H](O)CC(=O)C2=CC=CC(=C2)Cl
• InChI: 1S/C24H31ClO6/c1-31-24(30)10-5-3-2-4-9-19-20(23(29)15-22(19)28)12-11-18(26)14-21(27)16-7-6-8-17(25)13-16/h2,4,6-8,11-13,18-20,22-23,26,28-29H,3,5,9-10,14-15H2,1H3/b4-2-,12-11+/t18-,19?,20-,22?,23?/m1/s1
• InChIKey: CAAFTUMNNOOJLS-FHBSZKBTSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 617.483°C at 760 mmHg (Cal.)
• Flash point: 327.242°C (Cal.)