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CHEBI:182358 - [(4S,6R,6aS,9R,10S,10aR)-6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] 2-methylprop-2-enoate

ChEBI IDCHEBI:182358
ChEBI Name[(4S,6R,6aS,9R,10S,10aR)-6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] 2-methylprop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O11
Net Charge0
Average Mass496.509
Monoisotopic Mass496.19446
SMILESC=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@@]2(O)CC[C@@](C)(O)[C@H](OC(C)=O)[C@@]23OC(=O)C(COC)=C13
InChIInChI=1S/C24H32O11/c1-12(2)18(27)33-16-10-22(6,34-14(4)26)23(30)9-8-21(5,29)20(32-13(3)25)24(23)17(16)15(11-31-7)19(28)35-24/h16,20,29-30H,1,8-11H2,2-7H3/t16-,20-,21+,22+,23-,24+/m0/s1
InChIKeyHOMCMRVLJZABGH-IRUQYQAUSA-N
ChEBI Ontology
Outgoing Relation(s)
[(4S,6R,6aS,9R,10S,10aR)-6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] 2-methylprop-2-enoate (CHEBI:182358) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
[(4S,6R,6aS,9R,10S,10aR)-6,10-diacetyloxy-6a,9-dihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzouran-4-yl] 2-methylprop-2-enoate
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