(+)-Lycoctonine

CAS Registry Number®

26000-17-9

CAS Name

(+)-Lycoctonine

Molecular Formula

C25H41NO7

Molecular Mass

467.60

Cite this Page

(+)-Lycoctonine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26000-17-9 (retrieved 2024-11-22) (CAS RN: 26000-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131-133 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H41NO7/c1-6-26-11-22(12-27)8-7-16(31-3)24-14-9-13-15(30-2)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1

InChIKey

InChIKey=YOTUXHIWBVZAJQ-DIZROUMASA-N

SMILES

O(C)[C@@H]1[C@@]23[C@@]4([C@H](OC)[C@@](O)([C@]2(N(CC)C[C@]4(CO)CC1)[H])[C@]5(O)[C@@]6([C@]3(C[C@@]([C@@H]6OC)([C@@H](OC)C5)[H])[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Aconitane-7,8-diol, 20-ethyl-4-(hydroxymethyl)-1,6,14,16-tetramethoxy-, (1α,6β,14α,16β)-
  • Lycoctonine
  • Delsine
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-7,8-diol deriv.
  • (1α,6β,14α,16β)-20-Ethyl-4-(hydroxymethyl)-1,6,14,16-tetramethoxyaconitane-7,8-diol

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Deleted or Replaced CAS Registry Numbers

509-25-1, 11014-92-9, 874532-88-4, 1268691-15-1, 2811641-79-7