Delphinine
[CAS# 561-07-9]

Identification

• Name: Delphinine
• Synonyms: Aconitane-8,10,11-Triol, 1,6,19-Trimethoxy-4-(Methoxymethyl)-16-Methyl-, 8-Acetate 10-Benzoate, (1.Alpha.,6.Alpha.,10.Alpha.,19.Beta.)-; Aconitane-8,13,14-Triol, 1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methyl-, (1.Alpha.,6.Alpha.,14.Alpha.,16.Beta.)-; Aconitane-8,13,14-Triol, 1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methyl-, 8-Acetate 14-Benzoate, (1.Alpha.,6.Alpha.,14.Alpha.,16.Beta.)-
• Molecular Formula: C₃₃H₄₅NO₉
• Molecular Weight: 599.72
• CAS Registry Number: 561-07-9
• EINECS: 209-214-0
• SMILES: C1=CC=CC=C1C(OC6C5C7(C3C4C2(C(CCC(C2C3OC)(COC)CN4C)OC)C5CC6(C(C7)OC)O)OC(=O)C)=O
• InChI: 1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3
• InChIKey: REVYTWNGZDPRKE-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 646.782°C at 760 mmHg (Cal.)
• Flash point: 344.962°C (Cal.)