(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

CAS Registry Number®

25867-19-0

CAS Name

(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

Molecular Formula

C36H48N2O10

Molecular Mass

668.77

Cite this Page

(1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25867-19-0 (retrieved 2024-11-25) (CAS RN: 25867-19-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1

InChIKey

InChIKey=KFXVNXQXPRPLQA-JEUORDJTSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC(=O)C5=C(C=CC=C5)N6C(=O)CCC6=O)(CN(CC)[C@@]2([C@](O)([C@H]4OC)[C@]7(O)[C@@]8([C@]3(C[C@@]([C@@H]8OC)([C@@H](OC)C7)[H])[H])[H])[H])CC1)[H]

Canonical SMILES

O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC)C=7C=CC=CC7N8C(=O)CCC8=O

Other Names for this Substance

  • Aconitane-7,8-diol, 4-[[[2-(2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-, (1α,6β,14α,16β)-
  • Lycaconitine
  • (1α,6β,14α,16β)-4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

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