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

CAS Registry Number®

26871-60-3

CAS Name

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

Molecular Formula

C27H43NO8

Molecular Mass

509.63

Cite this Page

(1α,6β,14α,16β)-4-[(Acetyloxy)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=26871-60-3 (retrieved 2024-11-23) (CAS RN: 26871-60-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-189 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H43NO8/c1-7-28-12-24(13-36-14(2)29)9-8-18(33-4)26-16-10-15-17(32-3)11-25(30,19(16)20(15)34-5)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=STJQAAPRZLERIZ-JJQLKCKLSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC(C)=O)(CN(CC)[C@@]2([C@](O)([C@H]4OC)[C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6OC)([C@@H](OC)C5)[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

Other Names for this Substance

  • Aconitane-7,8-diol, 4-[(acetyloxy)methyl]-20-ethyl-1,6,14,16-tetramethoxy-, (1α,6β,14α,16β)-
  • Lycoctonine, monoacetate (ester)
  • (1α,6β,14α,16β)-4-[(Acetyloxy)methyl]-20-ethyl-1,6,14,16-tetramethoxyaconitane-7,8-diol
  • Tricornine
  • Acetyllycoctonine

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