(9alpha,11alpha,13E,15S,17E)-9,11,15-Trihydroxy-6-oxoprosta-13,17-dien-1-oic acid
[CAS# 80779-61-9]

Identification

• Name: (9alpha,11alpha,13E,15S,17E)-9,11,15-Trihydroxy-6-oxoprosta-13,17-dien-1-oic acid
• Synonyms: 6-OXO-9α,11α,15S-TRIHYDROXY-PROSTA-13E,17Z-DIEN-1-OICACID
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.46
• CAS Registry Number: 80779-61-9
• SMILES: O=C(O)CCCCC(=O)C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C/CC
• InChI: 1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h3-4,10-11,14,16-19,21,23-24H,2,5-9,12-13H2,1H3,(H,25,26)/b4-3+,11-10+/t14-,16+,17+,18+,19-/m0/s1
• InChIKey: HFKNJQYMAGMXTR-LQKMLEOGSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 587.067°C at 760 mmHg (Cal.)
• Flash point: 322.884°C (Cal.)