(5Z,9alpha,13E,15R)-9,15-Dihydroxy-16,16-dimethyl-11-oxoprosta-5,13-dien-1-oic acid
[CAS# 64072-59-9]

Identification

• Name: (5Z,9alpha,13E,15R)-9,15-Dihydroxy-16,16-dimethyl-11-oxoprosta-5,13-dien-1-oic acid
• Synonyms: "16,16-dimethyl Prostaglandin D2"; " 9α,15R-dihydroxy-11-oxo-16,16-dimethyl-prosta-5Z,13E-dien-1-oic acid" ; (5Z,9-α,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: 64072-59-9
• SMILES: O=C1C[C@H](O)[C@H](C\C=C/CCCC(=O)O)[C@H]1/C=C/[C@@H](O)C(C)(C)CCCC
• 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.)