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CHEBI:70111 - cornusalterin C

ChEBI IDCHEBI:70111
ChEBI Namecornusalterin C
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S,23E)-lanosta-23-ene substituted by β-hydroxy group at position 3 and a methoxy group at position 25. It has been isolated from the stem and stem barks of Cornus walteri.
Last Modified1 October 2014
DownloadsMolfile
FormulaC31H54O2
Net Charge0
Average Mass458.771
Monoisotopic Mass458.41238
SMILES[H][C@]12CC[C@]3(C)[C@](C)(CC[C@@]3([H])[C@@H](C)C/C=C/C(C)(C)OC)[C@]1([H])CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C31H54O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,17,21-26,32H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25-,26-,29+,30-,31+/m0/s1
InChIKeyAHAJUDPVPSLOAM-FJDYEYILSA-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 C (CHEBI:70111) has role plant metabolite (CHEBI:76924)
cornusalterin C (CHEBI:70111) is a ether (CHEBI:25698)
cornusalterin C (CHEBI:70111) is a secondary alcohol (CHEBI:35681)
cornusalterin C (CHEBI:70111) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(3β,13α,14β,17α,20S,23E)-25-methoxylanost-23-en-3-ol
Registry NumbersSources
Reaxys:21220905Reaxys
Citations