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

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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
ChEBI ID CHEBI:182358
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H32O11
Net Charge 0
Average Mass 496.509
Monoisotopic Mass 496.19446
InChI InChI=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
InChIKey HOMCMRVLJZABGH-IRUQYQAUSA-N
SMILES O1[C@]23[C@@](O)([C@](OC(=O)C)(C[C@H](OC(=O)C(C)=C)C2=C(C1=O)COC)C)CC[C@@](O)([C@@H]3OC(=O)C)C
ChEBI Ontology
Outgoing [(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
Manual Xref Database
62613892 ChemSpider
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