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CHEBI:93790 - 2-[(1R,2R)-2-[(1R,8aR)-1-(3-furanyl)-8a-methyl-5-methylene-3-oxo-1,6,7,8-tetrahydro-2-benzopyran-6-yl]-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]acetic acid methyl ester

ChEBI IDCHEBI:93790
ChEBI Name2-[(1R,2R)-2-[(1R,8aR)-1-(3-furanyl)-8a-methyl-5-methylene-3-oxo-1,6,7,8-tetrahydro-2-benzopyran-6-yl]-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]acetic acid methyl ester
Stars
Last Modified11 May 2016
DownloadsMolfile
FormulaC27H32O6
Net Charge0
Average Mass452.547
Monoisotopic Mass452.21989
SMILESC=C1C2=CC(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1CC(=O)OC
InChIInChI=1S/C27H32O6/c1-16-18(26(4)11-8-21(28)25(2,3)20(26)14-22(29)31-6)7-10-27(5)19(16)13-23(30)33-24(27)17-9-12-32-15-17/h8-9,11-13,15,18,20,24H,1,7,10,14H2,2-6H3/t18?,20-,24-,26+,27+/m0/s1
InChIKeyCUJHOPQCBJBWQL-GJGRSQDYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,2R)-2-[(1R,8aR)-1-(3-furanyl)-8a-methyl-5-methylene-3-oxo-1,6,7,8-tetrahydro-2-benzopyran-6-yl]-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]acetic acid methyl ester (CHEBI:93790) is a 2-pyranones (CHEBI:75885)
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