Delavaine
[CAS# 27989-72-6]

Identification

• Name: Delavaine
• Synonyms: Hasubanan-7-One, 5,6-Didehyydro-4,6-Dimethoxy-17-Methyl-2,3-[Methylene Bis(Oxy)]-; Nsc623443
• Molecular Formula: C₂₀H₂₃NO₅
• Molecular Weight: 357.41
• CAS Registry Number: 27989-72-6
• SMILES: C2=C1OCOC1=CC5=C2C34C(C(=C(C(=O)C3)OC)OC)(N(CC4)C)CC5
• InChI: 1S/C20H23NO5/c1-21-7-6-19-10-14(22)17(23-2)18(24-3)20(19,21)5-4-12-8-15-16(9-13(12)19)26-11-25-15/h8-9H,4-7,10-11H2,1-3H3
• InChIKey: PUSOZTGNPFHUMX-UHFFFAOYSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 550.149°C at 760 mmHg (Cal.)
• Flash point: 286.52°C (Cal.)