20-Ethyl-1alpha,6beta,8,16beta-Tetramethoxy-4-(Methoxymethyl)Aconitane-7,14alpha-Diol 14-Acetate
[CAS# 68388-52-3]

Identification

• Name: 20-Ethyl-1alpha,6beta,8,16beta-Tetramethoxy-4-(Methoxymethyl)Aconitane-7,14alpha-Diol 14-Acetate
• Synonyms: Ambiguine
• Molecular Formula: C₂₈H₄₅NO₈
• Molecular Weight: 523.67
• CAS Registry Number: 68388-52-3
• SMILES: C(COC)C24C1C(C3(C5(C6C(C1(C(CC2)O)C3N(CC)C4)CC(C(C5)OC)C6OC(=O)C)OC)O)OC
• InChI: 1S/C28H45NO8/c1-7-29-14-25(10-11-33-3)9-8-19(31)27-17-12-16-18(34-4)13-26(36-6,20(17)21(16)37-15(2)30)28(32,24(27)29)23(35-5)22(25)27/h16-24,31-32H,7-14H2,1-6H3
• InChIKey: PZQUJIBUDVFDII-UHFFFAOYSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 599.131°C at 760 mmHg (Cal.)
• Flash point: 316.144°C (Cal.)