(5Z,13E,15S)-9Α,15-Dihydroxy-16,16-Dimethyl-11-Oxoprosta-5,13-Dien-1-Oic Acid
[CAS# 85235-22-9]

Identification

• Name: (5Z,13E,15S)-9Α,15-Dihydroxy-16,16-Dimethyl-11-Oxoprosta-5,13-Dien-1-Oic Acid
• Synonyms: (Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-3-Oxo-Cyclopentyl]Hept-5-Enoic Acid; (Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-3-Keto-Cyclopentyl]Hept-5-Enoic Acid; (5Z,9-Alpha,13E,15S)-9,15-Dihydroxy-16,16-Dimethyl-11-Oxoprosta-5,13-Dien-1-Oic Acid
• Molecular Formula: C₂₂H₃₆O₅
• Molecular Weight: 380.52
• CAS Registry Number: 85235-22-9
• SMILES: [C@H]1([C@H]([C@H](CC1=O)O)C\C=C/CCCC(O)=O)\C=C\[C@H](C(CCCC)(C)C)O
• InChI: 1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-18,20,23,25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,20-/m1/s1
• InChIKey: ZEMOZGYCFBTCMC-MBNOUSKYSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 559.185°C at 760 mmHg (Cal.)
• Flash point: 306.04°C (Cal.)