(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-8,13,16-triol
AlkaPlorer ID: AK335000
Synonym: None
IUPAC Name: (1R,4S,5S,6S,8R,9S,10S,13S,16S,18S)-11-ethyl-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,16-triol
Structure
SMILES: CCN1C[C@]2(O)CC[C@H](O)[C@@]34C5C[C@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@H]([C@H]13)[C@@H](OC)C24
InChI: InChI=1S/C23H37NO6/c1-5-24-10-21(26)7-6-14(25)23-12-8-11-13(28-2)9-22(27,15(12)17(11)29-3)16(20(23)24)18(30-4)19(21)23/h11-20,25-27H,5-10H2,1-4H3/t11-,12?,13-,14-,15?,16+,17-,18+,19?,20-,21+,22+,23+/m0/s1
InChIKey: APNASLZDBOWHLG-QLBXXQNGSA-N
Reference
Alkaloids ofAconitum kirinense. Structure of akiramidine
PubChem CID: 15867697
LOTUS: LTS0214183
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kirinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.5500000000001
TPSA？: 91.62000000000002
MolLogP？: 0.2544000000000015
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|