Jaconine
[CAS# 480-75-1]

Identification

• Name: Jaconine
• Synonyms: (15-Alpha,20R)-20-Chloro-15,20-Dihydro-12,15-Dihydroxysenecionan-11,16-Dione; 4-27-00-06661 (Beilstein Handbook Reference); Brn 0056049
• Molecular Formula: C₁₈H₂₆ClNO₆
• Molecular Weight: 387.86
• CAS Registry Number: 480-75-1
• SMILES: CC3(C(CC(C(OC2C1C(=CCN1CC2)COC3=O)=O)(C(Cl)C)O)C)O
• InChI: 1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3
• InChIKey: CKPJPJSVQMEGBC-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 591.306°C at 760 mmHg (Cal.)
• Flash point: 311.411°C (Cal.)