Aconine

CAS Registry Number®

509-20-6

CAS Name

Aconine

Molecular Formula

C25H41NO9

Molecular Mass

499.59

Cite this Page

Aconine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=509-20-6 (retrieved 2024-11-05) (CAS RN: 509-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11-,12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25-/m1/s1

InChIKey

InChIKey=SQMGCPHFHQGPIF-UUKFDUHUSA-N

SMILES

O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(O)[C@@]6([C@]3(C[C@@](O)([C@@H]6O)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[C@H](O)C1)[H]

Canonical SMILES

OC1CC(OC)C23C4N(CC)CC1(COC)C3C(OC)C4C5(O)C(O)C(OC)C6(O)CC2C5C6O

Other Names for this Substance

  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,15α,16β)-
  • Aconine
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
  • (1α,3α,6α,14α,15α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol
  • Jesaconine

Deleted or Replaced CAS Registry Numbers

11000-31-0, 78715-27-2

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles