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CHEBI:67825 - 17β,21β-epoxyhopan-3-one

ChEBI IDCHEBI:67825
ChEBI Name17β,21β-epoxyhopan-3-one
Stars
ASCII Name17beta,21beta-epoxyhopan-3-one
DefinitionA hopanoid that is hopan-3-one substituted by an epoxy group across positions 17 and 21. It has been isolated from the bark of Cupania cinerea.
Last Modified29 October 2019
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)[C@]1(C)CC[C@@]13O[C@]1(C(C)C)CC[C@]23C
InChIInChI=1S/C30H48O2/c1-19(2)29-17-15-28(8)22-10-9-21-25(5)13-12-23(31)24(3,4)20(25)11-14-26(21,6)27(22,7)16-18-30(28,29)32-29/h19-22H,9-18H2,1-8H3/t20-,21+,22-,25-,26+,27+,28+,29-,30-/m0/s1
InChIKeyCMWZPPYBIGXKPR-LPSJIVJRSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane extract of dried and powdered 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)
17β,21β-epoxyhopan-3-one (CHEBI:67825) has role plant metabolite (CHEBI:76924)
17β,21β-epoxyhopan-3-one (CHEBI:67825) is a cyclic terpene ketone (CHEBI:36130)
17β,21β-epoxyhopan-3-one (CHEBI:67825) is a epoxide (CHEBI:32955)
17β,21β-epoxyhopan-3-one (CHEBI:67825) is a hopanoid (CHEBI:51963)
IUPAC Name 
17,21-epoxyhopan-3-one
Registry NumbersSources
Reaxys:9169944Reaxys
Citations