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(5R,6R)-2-ethyl-2-methyl-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylic acid ethyl ester
SpectraBase Compound ID 6XB6H2gVitj
InChI InChI=1S/C26H30O8/c1-7-26(3)33-19-12-15-16(13-20(19)34-26)23(17(11-18(15)27)25(28)32-8-2)14-9-21(29-4)24(31-6)22(10-14)30-5/h9-10,12-13,17,23H,7-8,11H2,1-6H3/t17-,23-,26?/m1/s1
InChIKey DUBWTMBBSXNZSA-ALKJAXCESA-N
Mol Weight 470.52 g/mol
Molecular Formula C26H30O8
Exact Mass 470.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KjUDZu20e
Name (5R,6R)-2-ethyl-2-methyl-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylic acid ethyl ester
Alternate Name(s) (5R,6R)-2-ethyl-8-keto-2-methyl-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylic acid ethyl ester Ethyl (5R,6R)-2-ethyl-2-methyl-8-oxidanylidene-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylate Ethyl (5R,6R)-2-ethyl-2-methyl-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylate
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Formula C26H30O8
InChI InChI=1S/C26H30O8/c1-7-26(3)33-19-12-15-16(13-20(19)34-26)23(17(11-18(15)27)25(28)32-8-2)14-9-21(29-4)24(31-6)22(10-14)30-5/h9-10,12-13,17,23H,7-8,11H2,1-6H3/t17-,23-,26?/m1/s1
InChIKey DUBWTMBBSXNZSA-ALKJAXCESA-N
Molecular Weight 470.518 g/mol
SMILES c12[C@]([C@](C(=O)OCC)(CC(c2cc2c(c1)OC(CC)(C)O2)=O)[H])(c1cc(OC)c(c(c1)OC)OC)[H]
SPLASH splash10-00e9-9576400000-502161f07c5ec3824fe6
Source of Spectrum Y1-38-140-6
Wiley ID 1527618