(5Z,13E,15R)-15-Hydroxy-15-methyl-9-oxoprosta-5,10,13-trien-1-oic acid
[CAS# 96440-68-5]

Identification

• Name: (5Z,13E,15R)-15-Hydroxy-15-methyl-9-oxoprosta-5,10,13-trien-1-oic acid
• Synonyms: "9-oxo-15R-hydroxy-15-methyl-prosta-5Z,10,13E-trien-1-oic acid"; 15(R)-15-methyl Prostaglandin A2; 15(R)-15-METHYLPROSTAGLANDINA2
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 96440-68-5
• SMILES: CCCCC[C@](C)(/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
• InChI: 1S/C21H32O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h5,7,12-14,16-18,25H,3-4,6,8-11,15H2,1-2H3,(H,23,24)/b7-5-,16-14+/t17-,18-,21-/m1/s1
• InChIKey: UEBXYYKXJUBAJX-ULDSDQABSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 520.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 282.9±26.6°C (Cal.)