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CHEBI:181379 - [(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-Acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

ChEBI IDCHEBI:181379
ChEBI Name[(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-Acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44O9
Net Charge0
Average Mass596.717
Monoisotopic Mass596.29853
SMILES[H][C@]12OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)/C(C)=C/C)[C@](C)([C@H](CC(=O)OC)[C@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@]5([H])O[C@]14[H])[C@@]23[H]
InChIInChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
InChIKeyCJHBVBNPNXOWBA-HLIKQWNHSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-Acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate (CHEBI:181379) is a limonoid (CHEBI:39434)
IUPAC Name 
[(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-acetyloxy-6-(uran-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
4444690ChemSpider
C08780KEGG COMPOUND