(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
AlkaPlorer ID: AK319299
Synonym: None
IUPAC Name: [8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Structure
SMILES: CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(=O)C5=CC=CC=C5)C(C(OC)C23)C14
InChI: InChI=1S/C34H47NO8/c1-7-35-17-32(18-38-3)14-13-24(40-5)34-22-15-21-23(39-4)16-33(43-19(2)36,26(30(34)35)28(41-6)29(32)34)25(22)27(21)42-31(37)20-11-9-8-10-12-20/h8-12,21-30H,7,13-18H2,1-6H3
InChIKey: YVVFVJVAHWNXNY-UHFFFAOYSA-N
Reference
THE ALKALOIDS OF ACONITUM NAPELLUS.
PubChem CID: 196058
CAS: 163083-76-9
LOTUS: LTS0043645
NPASS: NPC233109
COCONUT: CNP0268738.7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sungpanense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 597.7490000000004
TPSA？: 92.76
MolLogP？: 3.591600000000001
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|