Rollinone
[CAS# 92594-03-1]

Identification

• Name: Rollinone
• Synonyms: 3-Acetonyl-5-[11-Hydroxy-11-[5-[5-(1-Hydroxyundecyl)Tetrahydrofuran-2-Yl]Tetrahydrofuran-2-Yl]Undecyl]Tetrahydrofuran-2-One; 3-Acetonyl-5-[11-Hydroxy-11-[5-[5-(1-Hydroxyundecyl)-2-Tetrahydrofuranyl]-2-Tetrahydrofuranyl]Undecyl]-2-Tetrahydrofuranone; 2(3H)-F
• Molecular Formula: C₃₇H₆₆O₇
• Molecular Weight: 622.92
• CAS Registry Number: 92594-03-1
• SMILES: C(C3C(OC(CCCCCCCCCCC(C2OC(C1OC(C(O)CCCCCCCCCC)CC1)CC2)O)C3)=O)C(=O)C
• InChI: 1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3
• InChIKey: KGGVWMAPBXIMEM-UHFFFAOYSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 738.259°C at 760 mmHg (Cal.)
• Flash point: 217.714°C (Cal.)