(1R,3'S,4S,6R,7R)-7-hydroxy-3',6,7-trimethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione
AlkaPlorer ID: AK266431
Synonym: None
IUPAC Name: (1R,3'S,4S,6R,7R,11Z)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
Structure
SMILES: C[C@@H]1C[C@@]2(O[C@H]2C)C(=O)O[C@@H]2CCNC/C=C(/COC(=O)[C@]1(C)O)C2=O
InChI: InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(22)25-13-5-7-19-6-4-12(14(13)20)9-24-15(21)17(10,3)23/h4,10-11,13,19,23H,5-9H2,1-3H3/b12-4-/t10-,11+,13-,17-,18+/m1/s1
InChIKey: VBTGMDIGFHDHSF-QYBZBVLWSA-N
Reference
Alkaloids of Senecio erraticus
PubChem CID: 162906709
LOTUS: LTS0047344
SuperNatural Ⅲ: SN0386054-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea aquatica | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.3980000000001
TPSA？: 114.46
MolLogP？: -0.1214999999999987
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|