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CHEBI:70117 - cornusalterin I

ChEBI IDCHEBI:70117
ChEBI Namecornusalterin I
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S)-lanosta-7,9(11),24-triene substituted by an oxo group at position 3 and a methoxy group at position 23. It has been isolated from the stem and stem barks of Cornus walteri.
Last Modified2 October 2014
DownloadsMolfile
FormulaC31H48O2
Net Charge0
Average Mass452.723
Monoisotopic Mass452.36543
SMILES[H][C@@]1([C@@H](C)C[C@@H](C=C(C)C)OC)CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C
InChIInChI=1S/C31H48O2/c1-20(2)18-22(33-9)19-21(3)23-12-16-31(8)25-10-11-26-28(4,5)27(32)14-15-29(26,6)24(25)13-17-30(23,31)7/h10,13,18,21-23,26H,11-12,14-17,19H2,1-9H3/t21-,22+,23-,26-,29+,30-,31+/m0/s1
InChIKeyWISSQECJGFKWLU-OWVCEBFMSA-N
Species of MetaboliteComponentSourceComments
Cornus walteri (ncbitaxon:16907) stem (BTO:0001300) PubMed (21182258) 80% Methanolic extract of dried, chopped stems and stem bark
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)
cornusalterin I (CHEBI:70117) has role plant metabolite (CHEBI:76924)
cornusalterin I (CHEBI:70117) is a cyclic terpene ketone (CHEBI:36130)
cornusalterin I (CHEBI:70117) is a ether (CHEBI:25698)
cornusalterin I (CHEBI:70117) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20S,23S)-23-methoxylanosta-7,9(11),24-trien-3-one
Registry NumbersSources
Reaxys:21220898Reaxys
Citations