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rel-2-Methoxy-4-{(2R,3S,4R)-tetrahydro-4-[(S)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)furan-2-yl}phenyl beta-d-Glucopyranoside
SpectraBase Compound ID 6m769HibsEV
InChI InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)21(30)15-11-36-25(14(15)9-27)13-4-6-17(19(8-13)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15+,20-,21-,22-,23+,24-,25+,26-/m1/s1
InChIKey AWTYKUNFPBFFHC-XWOXDDIHSA-N
Mol Weight 538.5 g/mol
Molecular Formula C26H34O12
Exact Mass 538.205027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRGVY4jEfTh
Name rel-2-Methoxy-4-{(2R,3S,4R)-tetrahydro-4-[(S)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)furan-2-yl}phenyl beta-d-Glucopyranoside
Alternate Name(s) Lanicepside B (2S,3R,4S,5S,6R)-2-(4-((2R,3S,4R)-4-((S)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O12
InChI InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)21(30)15-11-36-25(14(15)9-27)13-4-6-17(19(8-13)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15+,20-,21-,22-,23+,24-,25+,26-/m1/s1
InChIKey AWTYKUNFPBFFHC-XWOXDDIHSA-N
Literature Reference DOI 10.1002/hlca.200790096
Molecular Weight 538.546 g/mol
SMILES O[C@]1([C@@](O[C@](CO)([C@]([C@@]1(O)[H])(O)[H])[H])(Oc1c(cc([C@@]2(OC[C@@]([H])([C@]2(CO)[H])[C@](O)(c2cc(c(cc2)O)OC)[H])[H])cc1)OC)[H])[H]
SPLASH splash10-0a70-1921000000-1d1ab053f4f393937879
Source of Spectrum H-90-955-2
Wiley ID 1785714