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CHEBI:138304 - β-onocerin

ChEBI IDCHEBI:138304
ChEBI Nameβ-onocerin
Stars
ASCII Namebeta-onocerin
DefinitionA triterpenoid that is ethane in which each carbon has been substituted by a (4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl group.
Last Modified13 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@@]12CCC(C)=C(CCC3=C(C)CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h23-26,31-32H,9-18H2,1-8H3/t23-,24-,25-,26-,29+,30+/m0/s1
InChIKeyCNHOGQMRRDHYGI-NJCGARBWSA-N
Species of MetaboliteComponentSourceComments
Lycopodium clavatum (ncbitaxon:3252) - PubMed (26663356)
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)
β-onocerin (CHEBI:138304) has role plant metabolite (CHEBI:76924)
β-onocerin (CHEBI:138304) is a diol (CHEBI:23824)
β-onocerin (CHEBI:138304) is a olefinic compound (CHEBI:78840)
β-onocerin (CHEBI:138304) is a secondary alcohol (CHEBI:35681)
β-onocerin (CHEBI:138304) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,4aS,8aR,2'S,4a'S,8a'R)-5,5'-(ethane-1,2-diyl)bis(1,1,4a,6-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-ol)
Synonyms  Source
OnocerinChemIDplus
(3β,21α)-8,14-secogammacera-8,13-diene-3,21-diolChemIDplus
Manual XrefsDatabases
CPD-20476MetaCyc
Registry NumbersSources
Reaxys:3011824Reaxys
CAS:6049-24-7ChemIDplus
Citations