(1R,2R,4S,5R,7R,8R,9R,10R,13R,16S,17R)-4-(acetyloxy)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-11-ium-11-olate
AlkaPlorer ID: AK525982
Synonym: None
IUPAC Name: [(1R,2R,4S,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-yl] acetate
Structure
SMILES: C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@@H]2OC(C)=O)[C@]12[C@@H]4C[C@H]3[C@H]1[N+]([O-])(CC)C[C@]4(C)CC[C@@H]2O
InChI: InChI=1S/C24H35NO5/c1-5-25(29)11-22(4)7-6-19(27)24-17(22)8-15(20(24)25)23-10-14(12(2)21(23)28)16(9-18(23)24)30-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16+,17-,18-,19+,20-,21-,22+,23+,24+,25?/m1/s1
InChIKey: SQRGUSMGAJODON-YTZYIXOZSA-N
Reference
Alkaloids ofAconitum saposhnikovii andA. karacolicum
PubChem CID: 163184430
LOTUS: LTS0275242
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum soongaricum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.5460000000002
TPSA？: 89.82000000000001
MolLogP？: 2.375200000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|