EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202881 - 4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betaH-eudesman-1beta,2beta,11, 14-tetraol

ChEBI IDCHEBI:202881
ChEBI Name4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betaH-eudesman-1beta,2beta,11, 14-tetraol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O10
Net Charge0
Average Mass508.564
Monoisotopic Mass508.23085
SMILESCC(=O)O[C@@]12C[C@@H](C(C)(C)O)C[C@@H](OC(=O)c3ccccc3)[C@@]1(CO)[C@H](O)[C@H](O)C[C@@]2(C)OC(C)=O
InChIInChI=1S/C26H36O10/c1-15(28)35-24(5)13-19(30)21(31)25(14-27)20(34-22(32)17-9-7-6-8-10-17)11-18(23(3,4)33)12-26(24,25)36-16(2)29/h6-10,18-21,27,30-31,33H,11-14H2,1-5H3/t18-,19+,20+,21+,24+,25-,26+/m0/s1
InChIKeySGJICULKIRHGJX-YEQNHOGMSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (23917067)
ChEBI Ontology
Outgoing Relation(s)
4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betaH-eudesman-1beta,2beta,11, 14-tetraol (CHEBI:202881) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
[(1R,3S,4aS,5R,7R,8S,8aR)-4a,5-diacetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-5-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl] benzoate
Manual XrefsDatabases
30771311ChemSpider