(1R-(1alpha,2alpha,3beta,6alpha))-2-(6-Methyl-3-(1-Methylethenyl)-7-Oxabicyclo(4.1.0)Hept-2-Yl)-5-Pentyl-1,3-Benzenediol Diacetate
[CAS# 54490-19-6]

Identification

• Name: (1R-(1alpha,2alpha,3beta,6alpha))-2-(6-Methyl-3-(1-Methylethenyl)-7-Oxabicyclo(4.1.0)Hept-2-Yl)-5-Pentyl-1,3-Benzenediol Diacetate
• Synonyms: [3-Acetoxy-2-[(1R,4S,5S,6S)-4-Isopropenyl-1-Methyl-7-Oxabicyclo[4.1.0]Heptan-5-Yl]-5-Pentyl-Phenyl] Acetate; Acetic Acid [3-Acetoxy-2-[(1R,4S,5S,6S)-4-Isopropenyl-1-Methyl-7-Oxabicyclo[4.1.0]Heptan-5-Yl]-5-Pentylphenyl] Ester; Acetic Acid [3-Acetoxy-5-Amyl-2-[(1R,4S,5S,6S)-4-Isopropenyl-1-Methyl-7-Oxabicyclo[4.1.0]Heptan-5-Yl]Phenyl] Ester
• Molecular Formula: C₂₅H₃₄O₅
• Molecular Weight: 414.54
• CAS Registry Number: 54490-19-6
• SMILES: [C@H]23[C@H](C1=C(C=C(C=C1OC(C)=O)CCCCC)OC(C)=O)[C@H](CC[C@]2(O3)C)C(=C)C
• InChI: 1S/C25H34O5/c1-7-8-9-10-18-13-20(28-16(4)26)23(21(14-18)29-17(5)27)22-19(15(2)3)11-12-25(6)24(22)30-25/h13-14,19,22,24H,2,7-12H2,1,3-6H3/t19-,22+,24+,25-/m1/s1
• InChIKey: YLDWHILBSVOERF-CKZJNZIISA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 465.179°C at 760 mmHg (Cal.)
• Flash point: 196.606°C (Cal.)