(5E)-5-[(3aS,4S,5R,6aS)-5-Hydroxy-4-[(3S)-3-Hydroxynon-1-Ynyl]-3,3a,4,5,6,6a-Hexahydro-1H-Pentalen-2-Ylidene]Pentanoic Acid
[CAS# 78542-68-4]

Identification

• Name: (5E)-5-[(3aS,4S,5R,6aS)-5-Hydroxy-4-[(3S)-3-Hydroxynon-1-Ynyl]-3,3a,4,5,6,6a-Hexahydro-1H-Pentalen-2-Ylidene]Pentanoic Acid
• Synonyms: (5E)-5-[(3As,4S,5R,6As)-5-Hydroxy-4-[(3S)-3-Hydroxynon-1-Ynyl]-3,3A,4,5,6,6A-Hexahydro-1H-Pentalen-2-Ylidene]Valeric Acid; 13,14-Didehydro-20-Methylcarbo-Pgi2; 13,14-Didehydro-20-Methylcarboprostacyclin
• Molecular Formula: C₂₂H₃₄O₄
• Molecular Weight: 362.51
• CAS Registry Number: 78542-68-4
• SMILES: [C@H]12[C@H](C[C@@H](O)[C@@H]1C#C[C@@H](O)CCCCCC)CC(/C2)=C\CCCC(=O)O
• InChI: 1S/C22H34O4/c1-2-3-4-5-9-18(23)11-12-19-20-14-16(8-6-7-10-22(25)26)13-17(20)15-21(19)24/h8,17-21,23-24H,2-7,9-10,13-15H2,1H3,(H,25,26)/b16-8+/t17-,18-,19+,20-,21+/m0/s1
• InChIKey: COTOHBYFKOEMEU-PDWIHATRSA-N