[(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-4,8-dihydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-acetamidobenzoate
AlkaPlorer ID: AK347977
Synonym: None
IUPAC Name: (11-ethyl-4,8-dihydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-acetamidobenzoate
Structure
SMILES: CCN1CC2(COC(=O)C3=CC=CC=C3N=C(C)O)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O
InChI: InChI=1S/C32H44N2O7/c1-5-34-15-30(16-41-29(37)18-8-6-7-9-22(18)33-17(2)35)11-10-25(40-4)32-20-12-19-23(39-3)14-31(38,26(20)27(19)36)21(28(32)34)13-24(30)32/h6-9,19-21,23-28,36,38H,5,10-16H2,1-4H3,(H,33,35)
InChIKey: BTJGSIVUSIUKPV-UHFFFAOYSA-N
Reference
Diterpenoid alkaloids from Aconitum talassicum
PubChem CID: 73834227
LOTUS: LTS0129007
COCONUT: CNP0377423.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum talassicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 568.7110000000005
TPSA？: 121.05
MolLogP？: 3.3497000000000026
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|