(2Z,8E,10E)-Heptadeca-2,8,10-Trien-4,6-Diyne-1,14-Diol
[CAS# 111128-27-9]

Identification

• Name: (2Z,8E,10E)-Heptadeca-2,8,10-Trien-4,6-Diyne-1,14-Diol
• Synonyms: 14-Hydroxy-Bupleurynol; 2,8,10-Heptadecatriene-4,6-Diyne-1,14-Diol, (Z,E,E)-; Bupleurotoxin
• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.36
• CAS Registry Number: 111128-27-9
• SMILES: C(C(O)CCC)C\C=C\C=C\C#CC#C\C=C/CO
• InChI: 1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-
• InChIKey: UPXPHJXYZGEBCW-VJWXCIGJSA-N