9alpha, 11alpha, 15S-Trihydroxy-Prosta-5Z, 13E-Dien-1-Oic Acid, Isopropyl Ester
[CAS# 53764-90-2]

Identification

• Name: 9alpha, 11alpha, 15S-Trihydroxy-Prosta-5Z, 13E-Dien-1-Oic Acid, Isopropyl Ester
• Synonyms: Isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]Hept-5-Enoate; (Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E,3S)-3-Hydroxyoct-1-Enyl]Cyclopentyl]Hept-5-Enoic Acid Isopropyl Ester; Dinoprost Isopropyl Ester
• Molecular Formula: C₂₃H₄₀O₅
• Molecular Weight: 396.57
• CAS Registry Number: 53764-90-2
• SMILES: [C@H]1([C@H]([C@@H](O)C[C@H]1O)C\C=C/CCCC(OC(C)C)=O)\C=C\[C@@H](O)CCCCC
• InChI: 1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
• InChIKey: FPABVZYYTCHNMK-YNRDDPJXSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 513.558°C at 760 mmHg (Cal.)
• Flash point: 164.282°C (Cal.)