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CHEBI:62735 - lupan-3β,20-diol

ChEBI IDCHEBI:62735
ChEBI Namelupan-3β,20-diol
Stars
ASCII Namelupan-3beta,20-diol
DefinitionA pentacyclic triterpenoid that is lupane in which the hydrogens at the 3β and 20 positions are substituted by hydroxy groups.
Last Modified31 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H52O2
Net Charge0
Average Mass444.744
Monoisotopic Mass444.39673
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CC[C@@]([H])(C(C)(C)O)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1
InChIKeyYDNYDUBBAZTLTQ-LIVJDELJSA-N
ChEBI Ontology
Outgoing Relation(s)
lupan-3β,20-diol (CHEBI:62735) is a pentacyclic triterpenoid (CHEBI:25872)
lupan-3β,20-diol (CHEBI:62735) is a secondary alcohol (CHEBI:35681)
lupan-3β,20-diol (CHEBI:62735) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3β)-lupane-3,20-diol
Synonym  Source
3β,20-dihydroxylupaneMetaCyc
UniProt Name  Source
lupan-3β,20-diolUniProt
Manual XrefsDatabases
CPD-6951MetaCyc
Registry NumbersSources
Reaxys:2541314Reaxys
Citations