Crotalaburnine
[CAS# 5096-49-1]

Identification

• Name: Crotalaburnine
• Synonyms: Brn 1090468; Nsc 114571; Senecionan-11,16-Dione, 6,12-Dihydroxy-, (6-Beta)-
• Molecular Formula: C₁₈H₂₅NO₆
• Molecular Weight: 351.40
• CAS Registry Number: 5096-49-1
• SMILES: [C@H]13OC(C(\C[C@H]([C@](O)(C)C(OCC2=CCN([C@@H]12)C[C@H]3O)=O)C)=C/C)=O
• InChI: 1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
• InChIKey: NPYPUYCITBTPSF-TZCAYXSXSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 610.336°C at 760 mmHg (Cal.)
• Flash point: 322.92°C (Cal.)