Methyl 7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3R,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-6-oxoheptanoate
[CAS# 85679-51-2]

Identification

• Name: Methyl 7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3R,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-6-oxoheptanoate
• Synonyms: 17,20-Dimethyl-6-oxo-PGE1 Me ester; 17,20-Dimethyl-6-oxo-prostaglandin E1 methyl ester
• Molecular Formula: C₂₃H₃₈O₆
• Molecular Weight: 410.54
• CAS Registry Number: 85679-51-2
• SMILES: O=C(OC)CCCCC(=O)C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)C[C@@H](C)CCCC
• InChI: 1S/C23H38O6/c1-4-5-8-16(2)13-18(25)11-12-19-20(22(27)15-21(19)26)14-17(24)9-6-7-10-23(28)29-3/h11-12,16,18-21,25-26H,4-10,13-15H2,1-3H3/b12-11+/t16-,18-,19+,20+,21+/m0/s1
• InChIKey: BBRBUTFBTUFFBU-VZZCMBKRSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 549.821°C at 760 mmHg (Cal.)
• Flash point: 178.819°C (Cal.)