(5S)-3-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]Oxolan-2-Yl]Oxolan-2-Yl]-13-Hydroxytridecyl]-5-Methyl-5H-Furan-2-One
[CAS# 120298-30-8]

Identification

• Name: (5S)-3-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]Oxolan-2-Yl]Oxolan-2-Yl]-13-Hydroxytridecyl]-5-Methyl-5H-Furan-2-One
• Synonyms: (5S)-3-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]Tetrahydrofuran-2-Yl]Tetrahydrofuran-2-Yl]-13-Hydroxy-Tridecyl]-5-Methyl-5H-Furan-2-One; (5S)-3-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]-2-Tetrahydrofuranyl]-2-Tetrahydrofuranyl]-13-Hydroxytridecyl]-5-Methyl-5H-Furan-2-One; (5S)-3-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-Dihydroxyundecyl]Oxolan-2-Yl]Oxolan-2-Yl]-13-Hydroxy-Tridecyl]-5-Methyl-5H-Furan-2-One
• Molecular Formula: C₃₇H₆₆O₇
• Molecular Weight: 622.92
• CAS Registry Number: 120298-30-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)CCC[C@@H](O)CCCCCC)CC1)[C@@H]3O[C@@H]([C@@H](CCCCCCCCCCCCC2=C[C@@H](OC2=O)C)O)CC3
• InChI: 1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32-,33+,34+,35+,36+/m0/s1
• InChIKey: DAEFUOXKPZLQMM-AUDZWCKFSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 766.799°C at 760 mmHg (Cal.)
• Flash point: 228.065°C (Cal.)