Involucrin
[CAS# 60108-77-2]

Identification

• Name: Involucrin
• Synonyms: [(4Z)-7-Acetoxy-8-Isopropyl-1,5-Dimethyl-11-Oxabicyclo[8.1.0]Undec-4-En-9-Yl] 3,4,5-Trimethoxybenzoate; 3,4,5-Trimethoxybenzoic Acid [(4Z)-7-Acetoxy-8-Isopropyl-1,5-Dimethyl-11-Oxabicyclo[8.1.0]Undec-4-En-9-Yl] Ester; Benzoic Acid, 3,4,5-Trimethoxy-, 4-(Acetyloxy)-6,10-Dimethyl-3-(1-Methylethyl)-11-Oxabicyclo(8.1.0)Undec-6-En-2-Yl Ester
• Molecular Formula: C₂₇H₃₈O₈
• Molecular Weight: 490.59
• CAS Registry Number: 60108-77-2
• SMILES: C3=C(C(OC2C1OC1(CC/C=C(CC(OC(=O)C)C2C(C)C)/C)C)=O)C=C(OC)C(=C3OC)OC
• InChI: 1S/C27H38O8/c1-15(2)22-19(33-17(4)28)12-16(3)10-9-11-27(5)25(35-27)24(22)34-26(29)18-13-20(30-6)23(32-8)21(14-18)31-7/h10,13-15,19,22,24-25H,9,11-12H2,1-8H3/b16-10-
• InChIKey: FSBLXTAIINGBJY-YBEGLDIGSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 536.54°C at 760 mmHg (Cal.)
• Flash point: 225.314°C (Cal.)