(1S,4Z,5S,6S,7S)-7-(acetyloxy)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl acetate
AlkaPlorer ID: AK338411
Synonym: None
IUPAC Name: (7-acetyloxy-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl) acetate
Structure
SMILES: CC=C1C(=O)OC2CCN(C)CC=C(COC(=O)C(C)(OC(C)=O)C(C)C1OC(C)=O)C2=O
InChI: InChI=1S/C23H31NO9/c1-7-17-20(31-14(3)25)13(2)23(5,33-15(4)26)22(29)30-12-16-8-10-24(6)11-9-18(19(16)27)32-21(17)28/h7-8,13,18,20H,9-12H2,1-6H3
InChIKey: AXKQLQXZIOIGKA-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids. XVI. Alkaloids from some plants of the genus Ligularia
PubChem CID: 73800155
LOTUS: LTS0050474
COCONUT: CNP0226975.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia hodgsonii | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.49900000000025
TPSA？: 125.51
MolLogP？: 1.1219000000000006
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|