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CHEBI:182689 - [3-acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-18-(2-methylpropanoyloxy)-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] (E)-2-methylbut-2-enoate

ChEBI IDCHEBI:182689
ChEBI Name[3-acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-18-(2-methylpropanoyloxy)-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] (E)-2-methylbut-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50O10
Net Charge0
Average Mass654.797
Monoisotopic Mass654.34040
SMILESC/C=C(\C)C(=O)OC1CC2C(C)(C)OC(=O)CC(OC(C)=O)C2(C)C2CC(OC(=O)C(C)C)C3(C)C(c4ccoc4)CC4OC43C12C
InChIInChI=1S/C37H50O10/c1-11-20(4)32(41)45-28-15-24-33(6,7)47-30(39)17-26(43-21(5)38)34(24,8)25-16-27(44-31(40)19(2)3)35(9)23(22-12-13-42-18-22)14-29-37(35,46-29)36(25,28)10/h11-13,18-19,23-29H,14-17H2,1-10H3/b20-11+
InChIKeyUABRYEZSGXDDDK-RGVLZGJSSA-N
ChEBI Ontology
Outgoing Relation(s)
[3-acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-18-(2-methylpropanoyloxy)-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] (E)-2-methylbut-2-enoate (CHEBI:182689) is a limonoid (CHEBI:39434)
IUPAC Name 
[3-acetyloxy-16-(uran-3-yl)-2,7,7,11,17-pentamethyl-18-(2-methylpropanoyloxy)-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] (E)-2-methylbut-2-enoate
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