(1α,6β,14α,16β)-20-Ethyl-4-(hydroxymethyl)-6,14,16-trimethoxyaconitane-1,7,8-triol

CAS Registry Number®

65967-20-6
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CAS Name

(1α,6β,14α,16β)-20-Ethyl-4-(hydroxymethyl)-6,14,16-trimethoxyaconitane-1,7,8-triol

Molecular Formula

C24H39NO7

Molecular Mass

453.57

Cite this Page

(1α,6β,14α,16β)-20-Ethyl-4-(hydroxymethyl)-6,14,16-trimethoxyaconitane-1,7,8-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65967-20-6 (retrieved 2024-04-27) (CAS RN: 65967-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-168 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H39NO7/c1-5-25-10-21(11-26)7-6-15(27)23-13-8-12-14(30-2)9-22(28,16(13)17(12)31-3)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1

InChIKey

InChIKey=DKODPYKVVJKLFU-FCXNFKKQSA-N

SMILES

O[C@@H]1[C@@]23[C@]4([C@](CO)(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

OCC12CN(CC)C3C4(O)C(OC)C1C3(C(O)CC2)C5CC6C(OC)CC4(O)C5C6OC

Other Names for this Substance

  • Aconitane-1,7,8-triol, 20-ethyl-4-(hydroxymethyl)-6,14,16-trimethoxy-, (1α,6β,14α,16β)-
  • (1α,6β,14α,16β)-20-Ethyl-4-(hydroxymethyl)-6,14,16-trimethoxyaconitane-1,7,8-triol
  • Gigactonine
  • Paniculine
  • Paniculine (Consolida)

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