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CHEBI:70110 - cornusalterin B

ChEBI IDCHEBI:70110
ChEBI Namecornusalterin B
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S,23E)-lanosta-23-ene substituted by an oxo 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 Modified28 March 2017
DownloadsMolfile
FormulaC31H52O2
Net Charge0
Average Mass456.755
Monoisotopic Mass456.39673
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(=O)CC[C@]21C
InChIInChI=1S/C31H52O2/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/h10,17,21-25H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25-,29+,30-,31+/m0/s1
InChIKeyVXRYSPWFQKBSPW-SGNIKCMYSA-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 B (CHEBI:70110) has role plant metabolite (CHEBI:76924)
cornusalterin B (CHEBI:70110) is a 3-oxo-5α-steroid (CHEBI:13601)
cornusalterin B (CHEBI:70110) is a cyclic terpene ketone (CHEBI:36130)
cornusalterin B (CHEBI:70110) is a ether (CHEBI:25698)
cornusalterin B (CHEBI:70110) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20S,23E)-25-methoxylanost-23-en-3-one
Registry NumbersSources
Reaxys:21220907Reaxys
Citations