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CHEBI:70118 - cornusalterin J

ChEBI IDCHEBI:70118
ChEBI Namecornusalterin J
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S)-lanosta-7,24-diene substituted by a β-hydroxy 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
FormulaC31H52O2
Net Charge0
Average Mass456.755
Monoisotopic Mass456.39673
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)C[C@H](C=C(C)C)OC)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C31H52O2/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/h10,18,21-24,26-27,32H,11-17,19H2,1-9H3/t21-,22-,23-,24-,26-,27-,29+,30-,31+/m0/s1
InChIKeyCMYFKSGATOJENB-OKYHLYSZSA-N
Species of MetaboliteComponentSourceComments
Cornus walteri (ncbitaxon:16907) stem (BTO:0001300) PubMed (21182258) Previous component: stem bark; 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 J (CHEBI:70118) has role plant metabolite (CHEBI:76924)
cornusalterin J (CHEBI:70118) is a ether (CHEBI:25698)
cornusalterin J (CHEBI:70118) is a secondary alcohol (CHEBI:35681)
cornusalterin J (CHEBI:70118) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(3β,13α,14β,17α,20S,23R)-23-methoxylanosta-7,24-dien-3-ol
Registry NumbersSources
Reaxys:21220909Reaxys
Citations