EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168013 - (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione

Default Structure
ChEBI IDCHEBI:168013
ChEBI Name(23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O5
Net Charge0
Average Mass472.666
Monoisotopic Mass472.31887
SMILESCCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1
InChIInChI=1S/C29H44O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,20-22,30-31H,7-16H2,1-6H3
InChIKeyIPZHIWYVRSTEKX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione (CHEBI:168013) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4-(hydroxymethyl)-5'-(1-hydroxypropyl)-3',4,10,13,14-pentamethylspiro[1,2,5,6,7,11,12,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3,15-dione
Manual XrefsDatabases
HMDB0035843HMDB