(1R,3'R,4R,6S,7R)-3',6,7,14-tetramethyl-3,8,17-trioxo-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-en-7-yl acetate
AlkaPlorer ID: AK513540
Synonym: None
IUPAC Name: (3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl) acetate
Structure
SMILES: CC(=O)OC1(C)C(=O)OCC2=CCN(C)CCC(OC(=O)C3(CC1C)OC3C)C2=O
InChI: InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3
InChIKey: RNNVXCSFOWGBQP-UHFFFAOYSA-N
Reference
Pyrrolizidine Alkaloid Profiles of the Senecio cineraria Group (Asteraceae)
PubChem CID: 73717529
CAS: 16958-30-8
LOTUS: LTS0232022
COCONUT: CNP0278411.9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio sarracenicus | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.4620000000002
TPSA？: 111.74
MolLogP？: 0.7915000000000003
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|