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CHEBI:132343 - triptohypol F

ChEBI IDCHEBI:132343
ChEBI Nametriptohypol F
Stars
DefinitionA pentacyclic diterpenoid with formula C31H52O2, originally isolated from the leaves of Tripterygium hypoglaucum.
Last Modified21 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC31H52O2
Net Charge0
Average Mass456.755
Monoisotopic Mass456.39673
SMILES[H][C@]12[C@H](OC)C=C3[C@]4([H])CC(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/C31H52O2/c1-26(2)14-15-28(5)16-17-30(7)20(21(28)19-26)18-22(33-9)25-29(6)12-11-24(32)27(3,4)23(29)10-13-31(25,30)8/h18,21-25,32H,10-17,19H2,1-9H3/t21-,22+,23-,24-,25+,28+,29-,30+,31+/m0/s1
InChIKeyVKGXBRHZFJRMOC-BCZIGNCTSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) leaf (BTO:0000713) 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)
triptohypol F (CHEBI:132343) has parent hydride oleanane (CHEBI:36481)
triptohypol F (CHEBI:132343) has role plant metabolite (CHEBI:76924)
triptohypol F (CHEBI:132343) is a ether (CHEBI:25698)
triptohypol F (CHEBI:132343) is a pentacyclic triterpenoid (CHEBI:25872)
triptohypol F (CHEBI:132343) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β,11α)-11-methoxyolean-12-en-3-ol
Synonyms  Source
11-Methoxy-12-oleanen-3-olHMDB
3β-hydroxy-11α-methoxyolean-12-eneChEBI
11α-methoxyolean-12-en-3β-olChEBI
Manual XrefsDatabases
HMDB0035495HMDB
Registry NumbersSources
Reaxys:8524112Reaxys
CAS:268541-26-0HMDB