5-[(2Z,5E)-7-Hydroxy-3-(Hydroxymethyl)-7-Methyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,5-Dienyl]-4-(Hydroxymethyl)-5H-Furan-2-One
[CAS# 147663-79-4]

Identification

• Name: 5-[(2Z,5E)-7-Hydroxy-3-(Hydroxymethyl)-7-Methyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,5-Dienyl]-4-(Hydroxymethyl)-5H-Furan-2-One
• Synonyms: 5-[(2Z,5E)-7-Hydroxy-7-Methyl-3-Methylol-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,5-Dienyl]-4-Methylol-5H-Furan-2-One; 2(5H)-Furanone, 5-(7-Hydroxy-3-(Hydroxymethyl)-7-Methyl-9-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,5-Nonadienyl)-4-(Hydroxymethyl)-; Luffariolide G
• Molecular Formula: C₂₅H₃₈O₅
• Molecular Weight: 418.57
• CAS Registry Number: 147663-79-4
• SMILES: C(C1=C(CCCC1(C)C)C)CC(O)(\C=C\C/C(=C/CC2OC(=O)C=C2CO)CO)C
• InChI: 1S/C25H38O5/c1-18-7-5-12-24(2,3)21(18)11-14-25(4,29)13-6-8-19(16-26)9-10-22-20(17-27)15-23(28)30-22/h6,9,13,15,22,26-27,29H,5,7-8,10-12,14,16-17H2,1-4H3/b13-6+,19-9-
• InChIKey: BTSJKOQHESKBDD-MAYWLHCHSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 619.349°C at 760 mmHg (Cal.)
• Flash point: 204.992°C (Cal.)