Ambelline
[CAS# 3660-62-6]

Identification

• Name: Ambelline
• Synonyms: Ambelline; C08517
• Molecular Formula: C₁₈H₂₁NO₅
• Molecular Weight: 331.37
• CAS Registry Number: 3660-62-6
• SMILES: [C@@]135[C@H](N(C[C@H]1O)CC4=C(OC)C2=C(OCO2)C=C34)C[C@@H](OC)C=C5
• InChI: 1S/C18H21NO5/c1-21-10-3-4-18-12-6-13-17(24-9-23-13)16(22-2)11(12)7-19(8-15(18)20)14(18)5-10/h3-4,6,10,14-15,20H,5,7-9H2,1-2H3/t10-,14+,15+,18+/m0/s1
• InChIKey: QAHZAHIPKNLGAS-QMJNRFBBSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 504.093°C at 760 mmHg (Cal.)
• Flash point: 258.666°C (Cal.)