(1R,2S,3S,7R,8R,9S,11S,12S,13R,16S,18S,20S,21S)-14-ethyl-9-methoxy-4,6,17-trioxa-14-azaoctacyclo[10.8.2.1²,⁸.0¹,¹³.0³,⁷.0³,¹¹.0¹⁶,¹⁸.0¹⁶,²¹]tricosane-11,20-diol
AlkaPlorer ID: AK252068
Synonym: None
IUPAC Name: (1R,2S,3S,7R,8R,9S,11S,12S,13R,16S,18S,20S,21S)-14-ethyl-9-methoxy-4,6,17-trioxa-14-azaoctacyclo[10.8.2.12,8.01,13.03,7.03,11.016,18.016,21]tricosane-11,20-diol
Structure
SMILES: CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@]13OCO[C@H]23
InChI: InChI=1S/C22H31NO6/c1-3-23-8-19-13-5-11-17(23)21(13,15(24)6-16(19)29-19)14-4-10-12(26-2)7-20(11,25)22(14)18(10)27-9-28-22/h10-18,24-25H,3-9H2,1-2H3/t10-,11+,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+/m1/s1
InChIKey: AQELCJOMPNYNFK-FRYAJNIMSA-N
Reference
Alkaloids of Aconitum kirinense. Structure of akirine
PubChem CID: 163072308
LOTUS: LTS0227583
SuperNatural Ⅲ: SN0012398-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kirinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4910000000002
TPSA？: 83.92000000000002
MolLogP？: 0.1264000000000016
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|