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CHEBI:8203 - Picrasin C

Default Structure
ChEBI IDCHEBI:8203
ChEBI NamePicrasin C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H34O7
Net Charge0
Average Mass422.518
Monoisotopic Mass422.23045
SMILES[H][C@@]12[C@H](OC(C)=O)[C@@H](OC)[C@H](C)[C@]3([H])CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C[C@H](O)C(=O)[C@]14C)[C@]23C
InChIInChI=1S/C23H34O7/c1-10-7-15(25)21(27)23(5)13(10)8-16-22(4)14(9-17(26)30-16)11(2)18(28-6)19(20(22)23)29-12(3)24/h10-11,13-16,18-20,25H,7-9H2,1-6H3/t10-,11-,13+,14+,15+,16-,18+,19-,20+,22-,23+/m1/s1
InChIKeyXTAVFXFXCFHNNF-SEMNJSAISA-N
ChEBI Ontology
Outgoing Relation(s)
Picrasin C (CHEBI:8203) is a triterpenoid (CHEBI:36615)
Synonyms  Source
Nigakilactone JKEGG COMPOUND
Picrasin CKEGG COMPOUND
QuassinKEGG COMPOUND
Manual XrefsDatabases
C00003724KNApSAcK
C08776KEGG COMPOUND
Registry NumbersSources
CAS:33804-89-6KEGG COMPOUND