(1S,5R)-2-Methyl-5-[(2S)-6-Methyl-5-Hepten-2-Yl]Bicyclo[3.1.0]Hex-2-Ene
[CAS# 58319-06-5]

Identification

• Name: (1S,5R)-2-Methyl-5-[(2S)-6-Methyl-5-Hepten-2-Yl]Bicyclo[3.1.0]Hex-2-Ene
• Synonyms: (+)-(2S,6S,7S)-sesquithujene; (+)-(2S,6S,7S)-sesquithujene; sesquithujene; (1S,5R)-2-Methyl-5-[(2S)-6-methyl-5-hepten-2-yl]bicyclo[3.1.0]hex-2-en
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 58319-06-5
• SMILES: CC1=CC[C@@]2([C@H]1C2)[C@@H](C)CCC=C(C)C
• InChI: 1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13-,14-,15-/m0/s1
• InChIKey: UCQHFDKBUHCAFR-KKUMJFAQSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 257.2±7.0°C at 760 mmHg (Cal.)
• Flash point: 99.4±13.0°C (Cal.)

References

• (1): Braulio M. Fraga. Natural sesquiterpenoids, Nat. Prod. Rep., 2012, 29, 1334.