[3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
[CAS# 13567-54-9]

Identification

• Name: [3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
• Synonyms: Chebi:36530; [3R-(3Alpha,3Abeta,6Alpha,7Beta,8Aalpha)]-Octahydro-3,6,8,8-Tetramethyl-1H-3A,7-Methanoazulene; Alpha-Cedrane
• Molecular Formula: C₁₅H₂₆
• Molecular Weight: 206.37
• CAS Registry Number: 13567-54-9
• SMILES: [C@@]123[C@H](C([C@@H](C1)[C@@H](CC2)C)(C)C)CC[C@H]3C
• InChI: 1S/C15H26/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h10-13H,5-9H2,1-4H3/t10-,11-,12+,13+,15+/m1/s1
• InChIKey: JJTQQGNEXQKQRF-BIGJJFBESA-N

Properties

• Density: 0.926g/cm³ (Cal.)
• Boiling point: 261.297°C at 760 mmHg (Cal.)
• Flash point: 102.243°C (Cal.)

References

• (1): Braulio M. Fraga. Natural sesquiterpenoids, Nat. Prod. Rep., 2008, 25, 1180.