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CHEBI:69224 - 3α-hydroxyolean-11-en-28,13β-olide

Default Structure
ChEBI IDCHEBI:69224
ChEBI Name3α-hydroxyolean-11-en-28,13β-olide
Stars
ASCII Name3alpha-hydroxyolean-11-en-28,13beta-olide
DefinitionA terpene lactone that is 13,28-epoxyolean-11-en-28-one substituted by an α-hydroxy group at position 3. It has been isolated from the leaves and twigs of Fatsia polycarpa.
Last Modified2 December 2013
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@]12C=C[C@]34OC(=O)[C@@]5(CCC(C)(C)C[C@]53[H])CC[C@@]4(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C30H46O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h9,13,19-22,31H,8,10-12,14-18H2,1-7H3/t19-,20+,21+,22+,26-,27+,28-,29-,30-/m0/s1
InChIKeyVQUPEZXRIUOIJE-XDPQSBAJSA-N
Species of MetaboliteComponentSourceComments
Fatsia polycarpa (ncbitaxon:230586)
twig (BTO:0001411) PubMed (21766884) Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs
leaf (BTO:0000713) PubMed (21766884) Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
3α-hydroxyolean-11-en-28,13β-olide (CHEBI:69224) has parent hydride oleanane (CHEBI:36481)
3α-hydroxyolean-11-en-28,13β-olide (CHEBI:69224) has role metabolite (CHEBI:25212)
3α-hydroxyolean-11-en-28,13β-olide (CHEBI:69224) has role plant metabolite (CHEBI:76924)
3α-hydroxyolean-11-en-28,13β-olide (CHEBI:69224) is a hexacyclic triterpenoid (CHEBI:70994)
3α-hydroxyolean-11-en-28,13β-olide (CHEBI:69224) is a secondary alcohol (CHEBI:35681)
3α-hydroxyolean-11-en-28,13β-olide (CHEBI:69224) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3α)-3-hydroxy-13,28-epoxyolean-11-en-28-one
Registry NumbersSources
Reaxys:8739334Reaxys
Citations