Ajaconine
[CAS# 545-61-9]

Identification

• Name: Ajaconine
• Synonyms: 7Alpha,20-Epoxy-21-(2-Hydroxyethyl)-4-Methylatid-16-En-15Beta-Ol; Chebi:2523; Ajaconine
• Molecular Formula: C₂₂H₃₃NO₃
• Molecular Weight: 359.51
• CAS Registry Number: 545-61-9
• SMILES: [C@@]124C3O[C@H](C[C@@H]1[C@@](C)(CCC2)CN3CCO)[C@@]56[C@H]4C[C@@H](C(=C)[C@H]5O)CC6
• InChI: 1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19?,20-,21-,22+/m0/s1
• InChIKey: RLXRCZIALRMBJR-VRMMQTGXSA-N