(1α,6β,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol

CAS Registry Number®

5140-42-1
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CAS Name

(1α,6β,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol

Molecular Formula

C25H41NO7

Molecular Mass

467.60

Cite this Page

(1α,6β,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5140-42-1 (retrieved 2024-09-19) (CAS RN: 5140-42-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)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=MODXUQZMEBLSJD-WIRSCEAYSA-N

SMILES

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

Canonical SMILES

OC1C2CC3C1C(O)(CC2OC)C4(O)C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6

Other Names for this Substance

  • Aconitane-7,8,14-triol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,6β,14α,16β)-
  • Browniine
  • 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-7,8,14-triol deriv.
  • (1α,6β,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol
  • NSC 333055

Deleted or Replaced CAS Registry Numbers

1349-37-7