4-(acetyloxy)-11-ethyl-8-hydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-16-yl acetate
AlkaPlorer ID: AK101757
Synonym: None
IUPAC Name: [4-acetyloxy-11-ethyl-8-hydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-16-yl] acetate
Structure
SMILES: CCN1CC2(COC)CCC(OC(C)=O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC(C)=O
InChI: InChI=1S/C27H41NO7/c1-6-28-12-25(13-32-4)8-7-21(34-14(2)29)27-17-9-16-19(33-5)11-26(31,18(24(27)28)10-20(25)27)22(17)23(16)35-15(3)30/h16-24,31H,6-13H2,1-5H3
InChIKey: BZQKPKLKOSTBMK-UHFFFAOYSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 13918915
LOTUS: LTS0002516
COCONUT: CNP0242117
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.6250000000002
TPSA？: 94.53
MolLogP？: 2.018700000000001
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|