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(2S,3R,4R)-2-(3',4'-Dimethoxyphenyl)-4-{[4'-(.beta.-D-glucopyranosyloxy)-3'-methoxyphenyl]methyl}tetrahydrofuran-3-methanol
SpectraBase Compound ID GF1bgCIZLIm
InChI InChI=1S/C27H36O11/c1-33-18-7-5-15(10-21(18)35-3)26-17(11-28)16(13-36-26)8-14-4-6-19(20(9-14)34-2)37-27-25(32)24(31)23(30)22(12-29)38-27/h4-7,9-10,16-17,22-32H,8,11-13H2,1-3H3/t16-,17-,22+,23+,24-,25+,26+,27+/m0/s1
InChIKey CSOTXIVZTYBZSQ-MCOOHHMLSA-N
Mol Weight 536.6 g/mol
Molecular Formula C27H36O11
Exact Mass 536.225762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yDTHwjdGCO
Name (2S,3R,4R)-2-(3',4'-Dimethoxyphenyl)-4-{[4'-(.beta.-D-glucopyranosyloxy)-3'-methoxyphenyl]methyl}tetrahydrofuran-3-methanol
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Formula C27H36O11
InChI InChI=1S/C27H36O11/c1-33-18-7-5-15(10-21(18)35-3)26-17(11-28)16(13-36-26)8-14-4-6-19(20(9-14)34-2)37-27-25(32)24(31)23(30)22(12-29)38-27/h4-7,9-10,16-17,22-32H,8,11-13H2,1-3H3/t16-,17-,22+,23+,24-,25+,26+,27+/m0/s1
InChIKey CSOTXIVZTYBZSQ-MCOOHHMLSA-N
Molecular Weight 536.574 g/mol
SMILES O[C@@]1([C@]([C@](Oc2ccc(C[C@]3(CO[C@@]([C@]3(CO)[H])(c3cc(OC)c(cc3)OC)[H])[H])cc2OC)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H]
SPLASH splash10-000i-0707090000-ff54c4e796226f9f1ecd
Source of Spectrum H-84-161-1
Synonyms (2S,3R,4R)-2-(3',4'-Dimethoxyphenyl)-4-{[4'-(.beta.-D-glucopyranosyloxy)-3'-methoxyphenyl]methyl}tetrahydrofuran-3-methanol 2-(3',4'-Dimethoxyphenyl)-4-{[4'-(.beta.-D-glucopyranosyloxy)-3'-methoxyphenyl]methyl}tetrahydrofuran-3-methanol 4-[.beta.-D-Glucopyranosyloxy)-9'-hydroxy-3,3',4'-trimethoxy-7,9-epoxylignan 4-{[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl .beta.-D-glucopyranoside
Wiley ID 847445