(5Z,8beta,11alpha,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
[CAS# 914804-63-0]

Identification

• Name: (5Z,8beta,11alpha,13E)-11-Hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
• Synonyms: " 9,15-dioxo-11α-hydroxy-(8β)-prosta-5Z,13E-1-oic acid" ; 8-iso-15-keto Prostaglandin E2
• Molecular Formula: C₂₀H₃₀O₅
• Molecular Weight: 350.45
• CAS Registry Number: 914804-63-0
• SMILES: O=C1C[C@@H](O)[C@H](\C=C\C(=O)CCCCC)[C@@H]1C\C=C/CCCC(=O)O
• InChI: 1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1
• InChIKey: YRTJDWROBKPZNV-RSNVZYGJSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 534.378°C at 760 mmHg (Cal.)
• Flash point: 291.054°C (Cal.)
• Refractive index: 1.552 (Cal.)