(5Z)-5-[(2E,4E,6E,8E)-11-(4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,9-Dimethyl-2,4,6,8-Undecatetraen-10-Yn-1-Ylidene]-3-[(E)-2-(4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Hept-1-Yl)Vinyl]-2(5H) -Furanone
[CAS# 54369-11-8]

Identification

• Name: (5Z)-5-[(2E,4E,6E,8E)-11-(4-Hydroxy-2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,9-Dimethyl-2,4,6,8-Undecatetraen-10-Yn-1-Ylidene]-3-[(E)-2-(4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Hept-1-Yl)Vinyl]-2(5H) -Furanone
• Synonyms: Pyrrhoxanthinol
• Molecular Formula: C₃₇H₄₆O₅
• Molecular Weight: 570.76
• CAS Registry Number: 54369-11-8
• SMILES: CC34CC(O)CC(C)(C)C4(/C=C/C2=C/C(=CC(\C)=C\C=C\C=C\C=C(/C)C#C\C1=C(/C)CC(O)CC1(C)C)OC2=O)O3
• InChI: 1S/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-
• InChIKey: JPHOIGCQEIPBBI-KLIFXJLWSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 736.156°C at 760 mmHg (Cal.)
• Flash point: 226.972°C (Cal.)