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CHEBI:70119 - cornusalterin K

ChEBI IDCHEBI:70119
ChEBI Namecornusalterin K
Stars
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S)-lanost-5-ene substituted by an oxo group at position 3 and a β-hydroxy group at position 1.
Last Modified3 May 2017
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@]3(C)[C@](C)(CC[C@@]3([H])[C@@H](C)CCCC(C)C)[C@]1([H])CC=C1C(C)(C)C(=O)C[C@@H](O)[C@@]12C
InChIInChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-16-29(7)22-12-13-24-27(4,5)25(31)18-26(32)30(24,8)23(22)15-17-28(21,29)6/h13,19-23,26,32H,9-12,14-18H2,1-8H3/t20-,21-,22+,23-,26+,28-,29+,30+/m0/s1
InChIKeyFEAAYJYTVFABGY-UHNHVWPPSA-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 K (CHEBI:70119) has role plant metabolite (CHEBI:76924)
cornusalterin K (CHEBI:70119) is a 3-oxo-Δ5-steroid (CHEBI:47907)
cornusalterin K (CHEBI:70119) is a cyclic terpene ketone (CHEBI:36130)
cornusalterin K (CHEBI:70119) is a secondary alcohol (CHEBI:35681)
cornusalterin K (CHEBI:70119) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(1β,13α,14β,17α,20S)-1-hydroxylanost-5-en-3-one
Registry NumbersSources
Reaxys:21220908Reaxys
Citations