(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

CAS Registry Number®

509-16-0

CAS Name

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol

Molecular Formula

C36H51N3O10

Molecular Mass

685.80

Cite this Page

(1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]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=509-16-0 (retrieved 2025-01-20) (CAS RN: 509-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    88-91 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24+,27-,28+,29-,30+,32+,33+,34-,35+,36-/m1/s1

InChIKey

InChIKey=ZBALYAJAWGGUCX-JEUORDJTSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC(=O)C5=C(NC(CCC(N)=O)=O)C=CC=C5)(CN(CC)[C@@]2([C@](O)([C@H]4OC)[C@]6(O)[C@@]7([C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[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=CC7NC(=O)CCC(=O)N

Other Names for this Substance

  • Aconitane-7,8-diol, 4-[[[2-[(4-amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-, (1α,6β,14α,16β)-
  • Avadcharidine
  • (1α,6β,14α,16β)-4-[[[2-[(4-Amino-1,4-dioxobutyl)amino]benzoyl]oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
  • Avadharidine
  • (+)-Avadharidine