Lobohedleolide
[CAS# 81026-38-2]

Identification

• Name: Lobohedleolide
• Synonyms: (4Z,8Z,12E)-4,12-Dimethyl-17-Methylidene-16-Oxo-15-Oxabicyclo[12.3.0]Heptadeca-4,8,12-Triene-8-Carboxylic Acid; (4Z,8Z,12E)-4,12-Dimethyl-17-Methylene-16-Oxo-15-Oxabicyclo[12.3.0]Heptadeca-4,8,12-Triene-8-Carboxylic Acid; 4,12-Dimethyl-17-Methylene-16-Oxo-15-Oxabicyclo[12.3.0]Heptadeca-4,8,12-Triene-8-Carboxylic Acid
• Molecular Formula: C₂₀H₂₆O₄
• Molecular Weight: 330.42
• CAS Registry Number: 81026-38-2 (59632-76-7)
• SMILES: C\C2=C/C1C(C(=C)C(=O)O1)CCC(=C\CC/C(=C/CC2)C(=O)O)/C
• InChI: 1S/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6-,14-12+,16-9-
• InChIKey: SORYERHBQFTRIK-XCHBSRKFSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 543.533°C at 760 mmHg (Cal.)
• Flash point: 191.688°C (Cal.)