(5S-cis)-5,6,11,12-Tetrahydro-9-Methoxy-14-Methylbenzo(5,6)Cycloocta(1,2-f)-1,3-Benzodioxol-5,11-Imin-8-Ol
[CAS# 37687-27-7]

Identification

• Name: (5S-cis)-5,6,11,12-Tetrahydro-9-Methoxy-14-Methylbenzo(5,6)Cycloocta(1,2-f)-1,3-Benzodioxol-5,11-Imin-8-Ol
• Synonyms: Benzo(5,6)Cycloocta(1,2-F)-1,3-Benzodioxol-5,11-Imin-8-Ol, 5,6,11,12-Tetrahydro-9-Methoxy-14-Methyl-, (5S-Cis)-; Caryachine
• Molecular Formula: C₁₉H₁₉NO₄
• Molecular Weight: 325.36
• CAS Registry Number: 37687-27-7
• SMILES: [C@H]25C1=CC(=C(C=C1C[C@H](C3=C(C2)C=C4C(=C3)OCO4)N5C)OC)O
• InChI: 1S/C19H19NO4/c1-20-14-4-11-6-18-19(24-9-23-18)8-13(11)15(20)3-10-5-17(22-2)16(21)7-12(10)14/h5-8,14-15,21H,3-4,9H2,1-2H3/t14-,15-/m1/s1
• InChIKey: TZJNFQHUSMXCIT-HUUCEWRRSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 453.842°C at 760 mmHg (Cal.)
• Flash point: 228.276°C (Cal.)