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CHEBI:182263 - [(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate

ChEBI IDCHEBI:182263
ChEBI Name[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O8
Net Charge0
Average Mass452.544
Monoisotopic Mass452.24102
SMILES[H][C@@]12CC(=C(C)C)C(=O)C[C@@]1(C)CC[C@@H](OC(=O)C(C)(O)C(C)OC(C)=O)[C@@]2(C)OC(C)=O
InChIInChI=1S/C24H36O8/c1-13(2)17-11-19-22(6,12-18(17)27)10-9-20(24(19,8)32-16(5)26)31-21(28)23(7,29)14(3)30-15(4)25/h14,19-20,29H,9-12H2,1-8H3/t14?,19-,20-,22-,23?,24+/m1/s1
InChIKeyLUNCZNVVYHFMOQ-ZCHNZJOUSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate (CHEBI:182263) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2R,4aR,8aR)-1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate
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