CHEBI:182099 - Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate

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ChEBI Name Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
ChEBI ID CHEBI:182099
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O8
Net Charge 0
Average Mass 486.561
Monoisotopic Mass 486.22537
InChI InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3
InChIKey GOYZKWCPWBKPIG-UHFFFAOYSA-N
SMILES O1C23C(CCC(C4(C1CC(=O)C(C4C(O)C(OC)=O)(C)C)C)C2=C)(C(OC(=O)C3)C=5C=COC5)C
ChEBI Ontology
Outgoing Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate (CHEBI:182099) is a limonoid (CHEBI:39434)
IUPAC Name
methyl 2-[13-(uran-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
Manual Xref Database
3198307 ChemSpider
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