(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-4,7,16-trihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-11-ium-11-olate
AlkaPlorer ID: AK364057
Synonym: None
IUPAC Name: (1R,2R,4S,5R,7R,8R,9R,10R,11R,13S,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
Structure
SMILES: C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](C[C@@H]2O)[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/C22H33NO4/c1-4-23(27)10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14+,15-,16-,17+,18-,19-,20-,21+,22+,23-/m1/s1
InChIKey: DEMQJEXKIJFBRD-NWPVBJRSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum flavum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.5090000000002
TPSA？: 83.75
MolLogP？: 1.8044
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|