5-Methyl-3-[2,8,9,13-Tetrahydroxy-13-[5-(1-Hydroxytridecyl)Oxolan-2-Yl]Tridecyl]-5H-Furan-2-One
[CAS# 167172-78-3]

Identification

• Name: 5-Methyl-3-[2,8,9,13-Tetrahydroxy-13-[5-(1-Hydroxytridecyl)Oxolan-2-Yl]Tridecyl]-5H-Furan-2-One
• Synonyms: 5-Methyl-3-[2,8,9,13-Tetrahydroxy-13-[5-(1-Hydroxytridecyl)Tetrahydrofuran-2-Yl]Tridecyl]-5H-Furan-2-One; 5-Methyl-3-[2,8,9,13-Tetrahydroxy-13-[5-(1-Hydroxytridecyl)-2-Tetrahydrofuranyl]Tridecyl]-5H-Furan-2-One; 2(5H)-Furanone, 5-Methyl-3-(2,8,9,13-Tetrahydroxy-13-(Tetrahydro-5-(1-Hydroxytridecyl)-2-Furanyl)Tridecyl)-
• Molecular Formula: C₃₅H₆₄O₈
• Molecular Weight: 612.89
• CAS Registry Number: 167172-78-3
• SMILES: C(C1=CC(C)OC1=O)C(O)CCCCCC(C(O)CCCC(C2OC(C(O)CCCCCCCCCCCC)CC2)O)O
• InChI: 1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3
• InChIKey: LPDLLEWSLYZCOC-UHFFFAOYSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 789.309°C at 760 mmHg (Cal.)
• Flash point: 237.957°C (Cal.)