Aconitine

• Formula: C₃₄H₄₇NO₁₁
• Molecular weight: 645.7371
• IUPAC Standard InChI: InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3 Copy

  
• IUPAC Standard InChIKey: XFSBVAOIAHNAPC-UHFFFAOYSA-N Copy
• CAS Registry Number: 302-27-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-; Aconitane; Aconitin cristallisat; 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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