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CHEBI:181778 - [13-Acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate

ChEBI IDCHEBI:181778
ChEBI Name[13-Acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O9
Net Charge0
Average Mass544.641
Monoisotopic Mass544.26723
SMILESCC(=O)OC1CC(OC(C)=O)C2(C)C(CC(O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C
InChIInChI=1S/C30H40O9/c1-15(31)36-21-13-22(37-16(2)32)28(6)18-8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,39-24)29(18,7)20(33)12-19(28)26(21,3)4/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3
InChIKeyMRMHZWKIOFZZID-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[13-Acetyloxy-7-(furan-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate (CHEBI:181778) is a limonoid (CHEBI:39434)
IUPAC Name 
[13-acetyloxy-7-(uran-3-yl)-19-hydroxy-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-15-yl] acetate
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3157966ChemSpider