CHEBI:62735 - lupan-3β,20-diol

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ChEBI Name lupan-3β,20-diol
ChEBI ID CHEBI:62735
ChEBI ASCII Name lupan-3beta,20-diol
Definition A pentacyclic triterpenoid that is lupane in which the hydrogens at the 3β and 20 positions are substituted by hydroxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H52O2
Net Charge 0
Average Mass 444.73270
Monoisotopic Mass 444.39673
InChI InChI=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
InChIKey YDNYDUBBAZTLTQ-LIVJDELJSA-N
SMILES [H][C@]1(CC[C@]2(C)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(C)(C)O
ChEBI Ontology
Outgoing 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
Synonyms Sources
3β,20-dihydroxylupane MetaCyc
lupan-3β,20-diol UniProt
Manual Xref Database
CPD-6951 MetaCyc
View more database links
Registry Number Type Source
2541314 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10930257 PubMed citation Europe PMC
16445885 PubMed citation Europe PMC
17107079 PubMed citation Europe PMC
9883589 PubMed citation Europe PMC
Last Modified
31 October 2012