7-Oxo-prostaglandin I2-ephedrine
[CAS# 108590-75-6]

Identification

• Name: 7-Oxo-prostaglandin I2-ephedrine
• Synonyms: (5Z)-5-[(3As,4R,5R,6Ar)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Oxo-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D]Furan-2-Ylidene]Pentanoic Acid; (1R,2S)-2-Methylamino-1-Phenyl-Propan-1-Ol; (5Z)-5-[(3As,4R,5R,6Ar)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3-Keto-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D]Furan-2-Ylidene]Valeric Acid; (1R,2S)-2-Methylamino-1-Phenyl-Propan-1-Ol; Chinoin 169
• Molecular Formula: C₃₀H₄₅NO₇
• Molecular Weight: 531.69
• CAS Registry Number: 108590-75-6
• SMILES: [C@H]12[C@H](OC(/C1=O)=C\CCCC(=O)O)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)CCCCC.[C@@H](O)(C3=CC=CC=C3)[C@@H](NC)C
• InChI: 1S/C20H30O6.C10H15NO/c1-2-3-4-7-13(21)10-11-14-15(22)12-17-19(14)20(25)16(26-17)8-5-6-9-18(23)24;1-8(11-2)10(12)9-6-4-3-5-7-9/h8,10-11,13-15,17,19,21-22H,2-7,9,12H2,1H3,(H,23,24);3-8,10-12H,1-2H3/b11-10+,16-8-;/t13-,14-,15+,17+,19-;8-,10-/m00/s1
• InChIKey: CLRBHRQIUVKWDS-AUVQIACVSA-N

Properties

• Boiling point: 573.6°C at 760 mmHg (Cal.)
• Flash point: 199.3°C (Cal.)