EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201648 - 6,11-Di-O-acetylalbrassitriol

Default Structure
ChEBI IDCHEBI:201648
ChEBI Name6,11-Di-O-acetylalbrassitriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O5
Net Charge0
Average Mass338.444
Monoisotopic Mass338.20932
SMILESCC(=O)OCC1(O)C(C)=CC(OC(C)=O)C2C(C)(C)CCCC21C
InChIInChI=1S/C19H30O5/c1-12-10-15(24-14(3)21)16-17(4,5)8-7-9-18(16,6)19(12,22)11-23-13(2)20/h10,15-16,22H,7-9,11H2,1-6H3
InChIKeyFFFMHWNOQJZHOI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6,11-Di-O-acetylalbrassitriol (CHEBI:201648) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(1R,4S,4aS,8aS)-4-acetyloxy-1-hydroxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
Manual XrefsDatabases
108341234ChemSpider