(3aR,4aS,6R,7aR,8R,9aS)-3,5-dimethylidene-2-oxo-4a-{[(trichloroacetamido)carbonyl]oxy}-hexahydro-3aH-spiro[azuleno[6,5-b]furan-8,2'-oxirane]-6-yl 2-methylpropanoate
AlkaPlorer ID: AK526068
Synonym: None
IUPAC Name: [1,8-dimethylidene-2-oxo-8a-[(2,2,2-trichloroacetyl)carbamoyloxy]spiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl] 2-methylpropanoate
Structure
SMILES: C=C1C(=O)OC2CC3(CO3)C3CC(OC(=O)C(C)C)C(=C)C3(OC(=O)N=C(O)C(Cl)(Cl)Cl)CC12
InChI: InChI=1S/C22H24Cl3NO8/c1-9(2)16(27)32-13-5-15-20(8-31-20)7-14-12(10(3)17(28)33-14)6-21(15,11(13)4)34-19(30)26-18(29)22(23,24)25/h9,12-15H,3-8H2,1-2H3,(H,26,29,30)
InChIKey: SQVZPRNZOHXNSI-UHFFFAOYSA-N
Reference
Sesquiterpene lactones from Venidium hirsutum BEROL. species
PubChem CID: 163042541
LOTUS: LTS0164538
COCONUT: CNP0323870.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arctotis hirsuta | Arctotis | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 536.7920000000001
TPSA？: 124.02
MolLogP？: 3.993000000000003
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|