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(1S,2S,3S,4R)-2-O-Acetyl-3,4-bis-O-(methoxymethoxy)-1-(3,4-dimethoxyphenyl)cyclohexane-1,2,3,4-tetraol
SpectraBase Compound ID Fcv6I9JUqHD
InChI InChI=1S/C20H30O9/c1-13(21)29-19-18(28-12-24-3)16(27-11-23-2)8-9-20(19,22)14-6-7-15(25-4)17(10-14)26-5/h6-7,10,16,18-19,22H,8-9,11-12H2,1-5H3/t16-,18+,19+,20+/m1/s1
InChIKey BDOMSYFEKHUXLN-GTAWCEEGSA-N
Mol Weight 414.45 g/mol
Molecular Formula C20H30O9
Exact Mass 414.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeM1r12IrlV
Name (1S,2S,3S,4R)-2-O-Acetyl-3,4-bis-O-(methoxymethoxy)-1-(3,4-dimethoxyphenyl)cyclohexane-1,2,3,4-tetraol
Alternate Name(s) (1S,2S,5R,6S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-5,6-bis(methoxymethoxy)cyclohexyl acetate 1L-[1(OH),2,3/4]-2-O-Acetyl-3,4-bis-O-(methoxymethoxy)-1-(3,4-dimethoxyphenyl)cyclohexane-1,2,3,4-tetraol [(1S,2S,5R,6S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-5,6-bis(methoxymethoxy)cyclohexyl] acetate [(1S,2S,5R,6S)-2-(3,4-dimethoxyphenyl)-5,6-bis(methoxymethoxy)-2-oxidanyl-cyclohexyl] ethanoate
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Formula C20H30O9
InChI InChI=1S/C20H30O9/c1-13(21)29-19-18(28-12-24-3)16(27-11-23-2)8-9-20(19,22)14-6-7-15(25-4)17(10-14)26-5/h6-7,10,16,18-19,22H,8-9,11-12H2,1-5H3/t16-,18+,19+,20+/m1/s1
InChIKey BDOMSYFEKHUXLN-GTAWCEEGSA-N
Molecular Weight 414.451 g/mol
SMILES O[C@]1([C@]([C@]([C@@](CC1)(OCOC)[H])(OCOC)[H])(OC(=O)C)[H])c1cc(OC)c(cc1)OC
SPLASH splash10-0bt9-0009400000-4e4578a39d746376910f
Source of Spectrum KC-0-278-10
Wiley ID 787209