Methyl (5Z,15S,16S)-15-hydroxy-16-methyl-9-oxoprost-5-en-13-yn-1-oate
[CAS# 89648-76-0]

Identification

• Name: Methyl (5Z,15S,16S)-15-hydroxy-16-methyl-9-oxoprost-5-en-13-yn-1-oate
• Synonyms: (5Z,15S,16S)-15-Hydroxy-16-methyl-9-oxoprost-5-en-13-yn-1-oic acid methyl ester; 11-Deoxy-13,14-didehydro-16(S)-methylprostaglandin E2 methyl ester
• Molecular Formula: C₂₂H₃₄O₄
• Molecular Weight: 362.50
• CAS Registry Number: 89648-76-0
• SMILES: O=C1CC[C@H](C#C[C@@H](O)[C@@H](C)CCCC)[C@H]1C\C=C/CCCC(=O)OC
• InChI: 1S/C22H34O4/c1-4-5-10-17(2)20(23)15-13-18-14-16-21(24)19(18)11-8-6-7-9-12-22(25)26-3/h6,8,17-20,23H,4-5,7,9-12,14,16H2,1-3H3/b8-6-/t17-,18-,19+,20+/m0/s1
• InChIKey: WPNSDQNZGLPFNT-LKTBELLOSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 492.76°C at 760 mmHg (Cal.)
• Flash point: 161.402°C (Cal.)