Avarol Monoacetate
[CAS# 122143-92-4]

Identification

• Name: Avarol Monoacetate
• Synonyms: [3-[[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]Methyl]-4-Hydroxy-Phenyl] Acetate; Acetic Acid [3-[[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]Methyl]-4-Hydroxyphenyl] Ester; Acetic Acid [3-[[(1R,2S,4As,8As)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]Methyl]-4-Hydroxy-Phenyl] Ester
• Molecular Formula: C₂₃H₃₂O₃
• Molecular Weight: 356.50
• CAS Registry Number: 122143-92-4
• SMILES: [C@]2(CC1=CC(=CC=C1O)OC(C)=O)([C@H](CC[C@@]3(C(=CCC[C@@H]23)C)C)C)C
• InChI: 1S/C23H32O3/c1-15-7-6-8-21-22(15,4)12-11-16(2)23(21,5)14-18-13-19(26-17(3)24)9-10-20(18)25/h7,9-10,13,16,21,25H,6,8,11-12,14H2,1-5H3/t16-,21+,22+,23+/m0/s1
• InChIKey: DRSPVCXBVVVLIJ-RAKGIWIYSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 444.625°C at 760 mmHg (Cal.)
• Flash point: 169.181°C (Cal.)

References

• (1): R. Puliti, S. De Rosa and C. A. Mattia. Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from Dysidea avara, Acta Cryst. (1995). C51, 1195-1198