(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
AlkaPlorer ID: AK378812
Synonym: None
IUPAC Name: [11-ethyl-8-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Structure
SMILES: CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC(=O)C5=CC=C(OC)C=C5)C(C(OC)C23)C14
InChI: InChI=1S/C33H47NO8/c1-7-34-16-31(17-37-2)13-12-23(40-5)33-21-14-20-22(39-4)15-32(36,25(29(33)34)27(41-6)28(31)33)24(21)26(20)42-30(35)18-8-10-19(38-3)11-9-18/h8-11,20-29,36H,7,12-17H2,1-6H3
InChIKey: FMMJXXGCEYKVKQ-UHFFFAOYSA-N
Reference
The Structures of Four New C19-Diterpenoid Alkaloids from Aconitum forrestii Stapf
PubChem CID: 13817025
LOTUS: LTS0135781
COCONUT: CNP0391928.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum forrestii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 585.7380000000003
TPSA？: 95.92000000000002
MolLogP？: 3.0294000000000008
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|