CHEBI:181200 - Methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-9-en-16-yl]acetate

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ChEBI Name Methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-9-en-16-yl]acetate
ChEBI ID CHEBI:181200
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O8
Net Charge 0
Average Mass 484.545
Monoisotopic Mass 484.20972
InChI InChI=1S/C27H32O8/c1-23(2)17(10-19(28)32-5)25(4)16-6-8-24(3)18(11-20(29)34-22(24)14-7-9-33-13-14)26(16)12-15(21(25)30)27(23,31)35-26/h7,9,11,13,15-17,22,31H,6,8,10,12H2,1-5H3
InChIKey URGZBBCARSDFSL-UHFFFAOYSA-N
SMILES O1C23C(C4(C(C(C1(O)C(C2)C4=O)(C)C)CC(OC)=O)C)CCC5(C3=CC(OC5C=6C=COC6)=O)C
ChEBI Ontology
Outgoing Methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-9-en-16-yl]acetate (CHEBI:181200) is a limonoid (CHEBI:39434)
IUPAC Name
methyl 2-[6-(uran-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-9-en-16-yl]acetate
Manual Xref Database
4266406 ChemSpider
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