Chemical identity

N-Deacetyl Lappaconitine

CAS 11033-64-0 · C30H42N2O7

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-21102
PubChem CID159335
NameN-Deacetyl Lappaconitine
CAS RN11033-64-0
Molecular formulaC30H42N2O7
Molecular weight542.67 g/mol
IUPAC name(3S,6S,6aS,7S,7aS,8S,9R,10S,11aS,12S,12aR,14S)-1-ethyl-7a,11a-dihydroxy-6,8,10-trimethoxydodecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-3(4H)-yl 2-aminobenzoate
InChIKeyVSUODASNSRJNCP-WGVBKJPXSA-N

02Structure identifiers

2D structurePubChem CID 159335
Two-dimensional chemical structure of N-Deacetyl Lappaconitine, CAS 11033-64-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres3
Ring count7
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC(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=C7N
InChINot listed
Formula from structureC30H42N2O7
Molecular weight from structure542.67 g/mol

03Stereochemistry

The published structure contains 9 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres3Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4,096Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 11033-64-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 11033-64-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Lappaconitine

View API and impurity family

Other names

  • N-deacetyllappaconitine
  • 20-Ethyl-1α,14α,16β-trimethoxyaconitane-4,8,9-triol 4-(2-aminobenzoate)
  • 4-Anthraniloyllappaconine
  • Lappaconine, 4-(2-aminobenzoate)
  • Lappaconitine, deacetyl-
  • Puberanidine
  • 11033-64-0
  • RefChem:163192
  • ((2S,3S,4S,5R,6S,8S,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-aminobenzoate

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources