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Benzoic acid 2,3,4-trihydroxy-6-(7-methoxybenzo[1,3]dioxol-5-yl)-5-methoxycarbonylaminocyclohexyl ester
SpectraBase Compound ID DQPVwuSjSha
InChI InChI=1S/C23H25NO10/c1-30-13-8-12(9-14-20(13)33-10-32-14)15-16(24-23(29)31-2)17(25)18(26)19(27)21(15)34-22(28)11-6-4-3-5-7-11/h3-9,15-19,21,25-27H,10H2,1-2H3,(H,24,29)
InChIKey MNLXRVPLOHJBGQ-UHFFFAOYSA-N
Mol Weight 475.45 g/mol
Molecular Formula C23H25NO10
Exact Mass 475.147846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUbJnXiRzcy
Name Benzoic acid 2,3,4-trihydroxy-6-(7-methoxybenzo[1,3]dioxol-5-yl)-5-methoxycarbonylaminocyclohexyl ester
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Formula C23H25NO10
InChI InChI=1S/C23H25NO10/c1-30-13-8-12(9-14-20(13)33-10-32-14)15-16(24-23(29)31-2)17(25)18(26)19(27)21(15)34-22(28)11-6-4-3-5-7-11/h3-9,15-19,21,25-27H,10H2,1-2H3,(H,24,29)
InChIKey MNLXRVPLOHJBGQ-UHFFFAOYSA-N
Molecular Weight 475.450 g/mol
SMILES N(C1C(C(C(C(C1O)O)O)OC(c1ccccc1)=O)c1cc2OCOc2c(c1)OC)C(=O)OC
SPLASH splash10-0a4i-0790000000-edf8b25143f9f1fb2b47
Source of Spectrum F-69-120-41
Synonyms 2,3,4-trihydroxy-6-(7-methoxy-1,3-benzodioxol-5-yl)-5-[(methoxycarbonyl)amino]cyclohexyl benzoate
Wiley ID 1594435