Theaspirane A
[CAS# 66537-39-1]

Identification

• Name: Theaspirane A
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.32
• CAS Registry Number: 66537-39-1
• SMILES: [C@H]2(OC1(C(CCC=C1C)(C)C)CC2)C
• InChI: 1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13?/m0/s1
• InChIKey: GYUZHTWCNKINPY-AMGKYWFPSA-N

Properties

• Density: 0.94g/cm³ (Cal.)
• Boiling point: 254.122°C at 760 mmHg (Cal.)
• Flash point: 103.827°C (Cal.)