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CHEBI:70417 - friedelin-3,4-lactone

ChEBI IDCHEBI:70417
ChEBI Namefriedelin-3,4-lactone
Stars
DefinitionA pentacyclic triterpenoid isolated from the leaves of Garcia parviflora.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@]3(C)[C@@H](C)OC(=O)CC[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-20-27(5)12-11-22-28(6,21(27)9-10-24(31)32-20)16-18-30(8)23-19-25(2,3)13-14-26(23,4)15-17-29(22,30)7/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
InChIKeyUYYLYVBSUPHXSX-PFTFKKIYSA-N
Species of MetaboliteComponentSourceComments
Garcia parviflora (IPNI:107401-2)
leaf (BTO:0000713) PubMed (20958014) n-hexane extract of air-dried, powdered branch and leaves
branch (BTO:0000148) PubMed (20958014) n-hexane extract of air-dried, powdered branch and leaves
ChEBI Ontology
Outgoing Relation(s)
friedelin-3,4-lactone (CHEBI:70417) has functional parent friedelin (CHEBI:5171)
friedelin-3,4-lactone (CHEBI:70417) is a pentacyclic triterpenoid (CHEBI:25872)
friedelin-3,4-lactone (CHEBI:70417) is a terpene lactone (CHEBI:37668)
friedelin-3,4-lactone (CHEBI:70417) is a ε-lactone (CHEBI:50239)
IUPAC Name 
(5R,5aS,7aS,7bR,9aR,13aR,13bS,15aR,15bS)-5,5a,7b,9a,12,12,13b,15a-octamethylicosahydrochryseno[2,1-c]oxepin-3(2H)-one
Registry NumbersSources
Reaxys:44179Reaxys
Citations