(4E)-5,7-bis(acetyloxy)-4-ethylidene-17-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹?,¹?]heptadec-11-en-14-ium
AlkaPlorer ID: AK318849
Synonym: None
IUPAC Name: [(4E)-7-acetyloxy-4-ethylidene-17-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-en-5-yl] acetate
Structure
SMILES: C/C=C1/C(=O)OC2CC[N+]3(C)CC=C(COC(=O)C(C)(OC(C)=O)C(C)C1OC(C)=O)C23O
InChI: InChI=1S/C23H32NO9/c1-7-17-19(31-14(3)25)13(2)22(5,33-15(4)26)21(28)30-12-16-8-10-24(6)11-9-18(23(16,24)29)32-20(17)27/h7-8,13,18-19,29H,9-12H2,1-6H3/q+1/b17-7+
InChIKey: UJFFAMMZKASLBJ-REZTVBANSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia fischeri | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ligularia dentata | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Oryza sativa | Oryza | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 466.5070000000002
TPSA？: 125.43000000000002
MolLogP？: 0.7698000000000012
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|