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CHEBI:132341 - hypodiol

ChEBI IDCHEBI:132341
ChEBI Namehypodiol
Stars
DefinitionA pentacyclic triterpenoid with formula C30H50O2, originally isolated from Tripterygium hypoglaucum.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12[C@H](O)CC3=C4CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1
InChIKeyPLLRCYPRRCRXHG-KQCVGMHHSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - Article (Phytochemistry, 2000, 53, 715-722.)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
hypodiol (CHEBI:132341) has parent hydride oleanane (CHEBI:36481)
hypodiol (CHEBI:132341) has role plant metabolite (CHEBI:76924)
hypodiol (CHEBI:132341) is a diol (CHEBI:23824)
hypodiol (CHEBI:132341) is a pentacyclic triterpenoid (CHEBI:25872)
hypodiol (CHEBI:132341) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β,11α)-olean-13(18)-ene-3,11-diol
Synonyms  Source
(-)-HypodiolKNApSAcK
3β,11α-dihydroxy-olean-13(18)-eneChEBI
olean-13(18)-ene-3β,11α-diolChEBI
Manual XrefsDatabases
101936045PubChem Compound
C00037290KNApSAcK
Registry NumbersSources
Reaxys:7828737Reaxys
CAS:198129-86-1ChemIDplus