(1alpha,14alpha,16beta)-20-Ethyl-1,16-Dimethoxy-Aconitane-8,14-Diol
[CAS# 38839-95-1]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: (1alpha,14alpha,16beta)-20-Ethyl-1,16-Dimethoxy-Aconitane-8,14-Diol
• Synonyms: Aconosine; Brn 1491936; Acnosine
• Molecular Formula: C₂₂H₃₅NO₄
• Molecular Weight: 377.52
• CAS Registry Number: 38839-95-1
• SMILES: C(N6C3C45C1C2C(O)C(C1)C(OC)CC2(C3CC4C(CCC5OC)C6)O)C
• InChI: 1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3
• InChIKey: VCOQRRVEIUTMFC-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 512.909°C at 760 mmHg (Cal.)
• Flash point: 263.998°C (Cal.)