Chemical Compound

lappaconitine

CAS Registry Number 32854-75-4
lappaconitine chemical structure
Primary Record

lappaconitine

In stock
7,463 g
Purity
99.1 %
CAS
32854-75-4

Compound Identifiers & Properties

CAS
32854-75-4
PubChem CID
441743
SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
Canonical SMILES
CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC

Names & Synonyms

  • lappaconitine
  • Allapinin
  • (+)-Lappaconitine
  • RefChem:1092616
  • Acetyl-10-deoxysepaconitine
  • SCHEMBL408157
  • UNII-Y4M5974F7Z
  • C32H44N2O8
  • CHEBI:6378
  • Npc101515
  • CHEMBL5308466
  • DTXSID90954503
  • CID441743
  • AKOS026750621
  • C32-H44-N2-O8
  • BRN 0072755
  • 32854-75-4
  • NS00094349
  • Y1883
  • C08694
  • 5-21-06-00291 (Beilstein Handbook Reference)
  • Q27107182
  • [(1S,2S,3S,4S,5R,6S,8S,9S,13S,16S,17S)-11-Ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
  • (1-alpha,14-alpha,16-beta)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-[2-(acetylamino)benzoate]
  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-[2-(acetylamino)benzoate], (1.alpha.,14.alpha.,16.beta.)-
  • N-(2-{[(20-Ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl)oxy]carbonyl}phenyl)ethanimidic acid
  • N-[2-({[(17xi)-20-Ethyl-8,9-dihydroxy-1alpha,14beta,16beta-trimethoxy-13alpha-aconitan-4-yl]oxy}carbonyl)phenyl]ethanimidic acid