N-Deacetyllappaconitine
AlkaPlorer ID: AK010875
Synonym: ''
IUPAC Name: [(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
Structure
SMILES: CCN1C[C@]2(OC(=O)C3=CC=CC=C3N)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC
InChI: InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23+,24?,25+,27-,28+,29?,30+/m1/s1
InChIKey: VSUODASNSRJNCP-WGVBKJPXSA-N
Reference
Alkaloids of<i>Aconitum barbatum</i>
PubChem CID: 159335
CAS: 11033-64-0
LOTUS: LTS0111349
NPASS: NPC8938
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum finetianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 542.6730000000002
TPSA？: 123.71000000000002
MolLogP？: 1.8454000000000004
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|