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

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ChEBI Name 17β,21β-epoxyhopan-3-one
ChEBI ID CHEBI:67825
ChEBI ASCII Name 17beta,21beta-epoxyhopan-3-one
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.712
Monoisotopic Mass 440.36543
InChI InChI=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
InChIKey CMWZPPYBIGXKPR-LPSJIVJRSA-N
SMILES [C@]123[C@](CC[C@@]1([C@@]4([C@@]([C@]5([C@]([C@@]6([C@@](C(C(=O)CC6)(C)C)([H])CC5)C)([H])CC4)C)(C)CC2)[H])C)(C(C)C)O3
Metabolite of Species Details
Cupania cinerea (NCBI:txid298314) Found in bark (BTO:0001301). Crude n-hexane extract of dried and powdered bark See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
9169944 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21438586 PubMed citation Europe PMC
Last Modified
29 October 2019