(1R,2S,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecane-4,7,16-triol
AlkaPlorer ID: AK339099
Synonym: None
IUPAC Name: (1R,4S,5S,7R,8R,9R,10R,13R,16S)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
Structure
SMILES: C=C1[C@@H](O)[C@]23C[C@@H]1[C@@H](O)CC2[C@]12C4C[C@H]3[C@H]1N(CC)C[C@]4(C)CC[C@@H]2O
InChI: InChI=1S/C22H33NO3/c1-4-23-10-20(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-/m0/s1
InChIKey: AZAZKLKDEOMJBJ-LVXADFIOSA-N
Reference
Alkaloids of three species of Aconitum growing in Mongolia
PubChem CID: 139291788
LOTUS: LTS0248489
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum flavum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.51000000000016
TPSA？: 63.93000000000001
MolLogP？: 1.7917999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|