(5Z,9alpha,12E,14E)-9-Hydroxy-11-oxoprosta-5,12,14-trien-1-oic acid
[CAS# 85235-11-6]

Identification

• Name: (5Z,9alpha,12E,14E)-9-Hydroxy-11-oxoprosta-5,12,14-trien-1-oic acid
• Synonyms: "15-deoxy-?12,14-Prostaglandin D2"; " 9α-hydroxy-11-oxo-prosta-5Z,12E,14E-trien-1-oic acid"
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 85235-11-6
• SMILES: CCCCC/C=C/C=C/1\[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O
• InChI: 1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
• InChIKey: QUGBPWLPAUHDTI-PLGLXCLHSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 535.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 291.4±26.6°C (Cal.)