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CHEBI:182898 - [14-acetyloxy-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate

ChEBI IDCHEBI:182898
ChEBI Name[14-acetyloxy-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
SMILESCC(=O)OC1CC(O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)C(=O)C4OC423)C1(C)C
InChIInChI=1S/C30H40O8/c1-15(31)36-21-13-20(33)28(6)18-8-10-27(5)23(17-9-11-35-14-17)24(34)25-30(27,38-25)29(18,7)22(37-16(2)32)12-19(28)26(21,3)4/h9,11,14,18-23,25,33H,8,10,12-13H2,1-7H3
InChIKeyPVCLMZBWMWIHKX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[14-acetyloxy-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate (CHEBI:182898) is a limonoid (CHEBI:39434)
IUPAC Name 
[14-acetyloxy-6-(uran-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate
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