(1R,2S,4S,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-7-yl acetate
AlkaPlorer ID: AK321812
Synonym: None
IUPAC Name: (11-ethyl-4,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-7-yl) acetate
Structure
SMILES: C=C1C2CC3(C1OC(C)=O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3CC2O
InChI: InChI=1S/C24H35NO4/c1-5-25-11-22(4)7-6-19(28)24-17(22)8-15(20(24)25)23-10-14(16(27)9-18(23)24)12(2)21(23)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3
InChIKey: CZXUYBQFBFSXKM-UHFFFAOYSA-N
Reference
Ein neues Aconitum Alkaloid (X. Mitteil. über Aconitum‐ Alkaloide)
PubChem CID: 14106924
LOTUS: LTS0248328
COCONUT: CNP0199282.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum lucidusculum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 401.54700000000014
TPSA？: 70.0
MolLogP？: 2.362600000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|