(5Z)-5-[(3aS,4S,5R,6aS)-4-(2-Cyclohexylethynyl)-5-Hydroxy-3,3a,4,5,6,6a-Hexahydro-1H-Pentalen-2-Ylidene]Pentanoic Acid
[CAS# 149639-79-2]

Identification

• Name: (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-Cyclohexylethynyl)-5-Hydroxy-3,3a,4,5,6,6a-Hexahydro-1H-Pentalen-2-Ylidene]Pentanoic Acid
• Synonyms: (5Z)-5-[(3As,4S,5R,6As)-4-(2-Cyclohexylethynyl)-5-Hydroxy-3,3A,4,5,6,6A-Hexahydro-1H-Pentalen-2-Ylidene]Valeric Acid; Mm-706; Pentanoic Acid, 5-(4-(Cyclohexylethynyl)Hexahydro-5-Hydroxy-2(1H)-Pentalenylidene)-, (3As-(3Aalpha,4Alpha,5Beta,6Aalpha))-
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 149639-79-2
• SMILES: [C@H]13[C@H](C[C@@H](O)[C@@H]1C#CC2CCCCC2)CC(/C3)=C/CCCC(=O)O
• InChI: 1S/C21H30O3/c22-20-14-17-12-16(8-4-5-9-21(23)24)13-19(17)18(20)11-10-15-6-2-1-3-7-15/h8,15,17-20,22H,1-7,9,12-14H2,(H,23,24)/b16-8-/t17-,18+,19-,20+/m0/s1
• InChIKey: IXOZOKPCBZHURA-IDCLTSITSA-N