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CHEBI:543841 - dihydrocubebin

ChEBI IDCHEBI:543841
ChEBI Namedihydrocubebin
Stars
DefinitionA glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration).
Secondary ChEBI IDsCHEBI:4561, CHEBI:568541, CHEBI:582189
Last Modified21 January 2015
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESOC[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
InChIKeyJKCVMTYNARDGET-HOTGVXAUSA-N
ChEBI Ontology
Outgoing Relation(s)
dihydrocubebin (CHEBI:543841) is a benzodioxoles (CHEBI:38298)
dihydrocubebin (CHEBI:543841) is a butanediols (CHEBI:22944)
dihydrocubebin (CHEBI:543841) is a glycol (CHEBI:13643)
dihydrocubebin (CHEBI:543841) is a lignan (CHEBI:25036)
IUPAC Name 
(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Synonyms  Source
DihydrocubebinKEGG COMPOUND
dihydrocubebinChEMBL
(-)-dihydrocubebinChEMBL
Manual XrefsDatabases
C10558KEGG COMPOUND
C00002599KNApSAcK
Registry NumbersSources
Beilstein:96570Beilstein
CAS:24563-03-9KEGG COMPOUND
CAS:24563-03-9ChemIDplus
Citations