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

CAS Registry Number®

22413-78-1

CAS Name

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

Molecular Formula

C32H46N2O8

Molecular Mass

586.72

Cite this Page

(1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)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=22413-78-1 (retrieved 2024-11-04) (CAS RN: 22413-78-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28+,29+,30-,31+,32-/m1/s1

InChIKey

InChIKey=NNDHDYDFEDRMGH-IUQDZDMUSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC(=O)C5=C(N)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=CC7N

Other Names for this Substance

  • Aconitane-7,8-diol, 4-[[(2-aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxy-, (1α,6β,14α,16β)-
  • Lycoctonine, monoanthranilate (ester)
  • Lycoctonine, anthraniloyl-
  • (1α,6β,14α,16β)-4-[[(2-Aminobenzoyl)oxy]methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
  • Anthranoyllycoctonine

View All

Deleted or Replaced CAS Registry Numbers

664-22-2, 5691-60-1, 7614-39-3, 36570-70-4, 91809-63-1, 928844-76-2, 1640227-48-0

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