(5Z,8beta,9alpha,11alpha,13E,15S,17Z)-9,11,15-Trihydroxyprosta-5,13,17-trien-1-oic acid
[CAS# 7045-31-0]

Identification

• Name: (5Z,8beta,9alpha,11alpha,13E,15S,17Z)-9,11,15-Trihydroxyprosta-5,13,17-trien-1-oic acid
• Synonyms: "9?,11?,15S-trihydroxy-(8?)-prosta-5Z,13E,17Z-trien-1-oic acid"; 8-iso Prostaglandin F3?; 8-iso-PGF3α
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.46
• CAS Registry Number: 7045-31-0
• SMILES: O=C(O)CCC/C=C\C[C@H]1[C@@H](/C=C/[C@@H](O)C\C=C/CC)[C@H](O)C[C@@H]1O
• InChI: 1S/C20H32O5/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/h3-4,6-7,12-13,15-19,21-23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
• InChIKey: SAKGBZWJAIABSY-PJCXKLBTSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 541.653°C at 760 mmHg (Cal.)
• Flash point: 295.448°C (Cal.)