Lappaconine

CAS Registry Number®

23943-93-3
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CAS Name

Lappaconine

Molecular Formula

C23H37NO6

Molecular Mass

423.54

Cite this Page

Lappaconine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23943-93-3 (retrieved 2024-08-24) (CAS RN: 23943-93-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H37NO6/c1-5-24-11-20(25)7-6-17(29-3)22-15(20)9-13(18(22)24)21(26)10-14(28-2)12-8-16(22)23(21,27)19(12)30-4/h12-19,25-27H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17+,18-,19+,20-,21+,22+,23+/m1/s1

InChIKey

InChIKey=ZBSZKFYYJKXUHF-NXZWYGSFSA-N

SMILES

O(C)[C@@H]1[C@]23[C@]4([C@@]5(O)[C@@](O)([C@@]6([C@]2(N(CC)C[C@@](O)([C@]3(C6)[H])CC1)[H])[H])C[C@H](OC)[C@@](C4)([C@@H]5OC)[H])[H]

Canonical SMILES

OC12CN(CC)C3C4CC1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5(O)C6OC

Other Names for this Substance

  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, (1α,14α,16β)-
  • Lappaconine
  • (1α,14α,16β)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol
  • O1-Methyllappaconidine

Deleted or Replaced CAS Registry Numbers

1358-86-7, 1622917-42-3