Aristolochene
[CAS# 26620-71-3]

Identification

• Name: Aristolochene
• Synonyms: (4R,4As,6R)-6-Isopropenyl-4,4A-Dimethyl-2,3,4,5,6,7-Hexahydro-1H-Naphthalene; (-)-Aristolochene; (1R,7R,8As)-Aristolochene
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 26620-71-3
• SMILES: [C@]12(C[C@H](C(=C)C)CC=C1CCC[C@H]2C)C
• InChI: 1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m1/s1
• InChIKey: YONHOSLUBQJXPR-NFAWXSAZSA-N

Properties

• Density: 0.894g/cm³ (Cal.)
• Boiling point: 274.248°C at 760 mmHg (Cal.)
• Flash point: 107.811°C (Cal.)

References

• (1): Melanie J. Calvert, Susan E. Taylor and Rudolf K. Allemann. Tyrosine 92 of aristolochene synthase directs cyclisation of farnesyl pyrophosphate, Chem. Commun., 2002, 0, 2384.