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Methyl-3,4-di-o-acetyl-2-o-(methyl-2,3-di-o-acetyl-4-o-methyl.alpha.D-glucopyranosyluronate).alpha.D-xylopyranoside

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Methyl-3,4-di-o-acetyl-2-o-(methyl-2,3-di-o-acetyl-4-o-methyl.alpha.D-glucopyranosyluronate).alpha.D-xylopyranoside
SpectraBase Compound ID 3XdTzAhfHKR
InChI InChI=1S/C22H32O15/c1-9(23)32-13-8-31-21(30-7)18(14(13)33-10(2)24)37-22-19(35-12(4)26)16(34-11(3)25)15(28-5)17(36-22)20(27)29-6/h13-19,21-22H,8H2,1-7H3/t13-,14+,15+,16+,17+,18+,19-,21+,22-/m1/s1
InChIKey NOOWFRKNANDKEH-QTQPTXRVSA-N
Mol Weight 536.5 g/mol
Molecular Formula C22H32O15
Exact Mass 536.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BntjayGxzW
Name Methyl-3,4-di-o-acetyl-2-o-(methyl-2,3-di-o-acetyl-4-o-methyl.alpha.D-glucopyranosyluronate).alpha.D-xylopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.174120315 u
Formula C22H32O15
InChI InChI=1S/C22H32O15/c1-9(23)32-13-8-31-21(30-7)18(14(13)33-10(2)24)37-22-19(35-12(4)26)16(34-11(3)25)15(28-5)17(36-22)20(27)29-6/h13-19,21-22H,8H2,1-7H3/t13-,14+,15+,16+,17+,18+,19-,21+,22-/m1/s1
InChIKey NOOWFRKNANDKEH-QTQPTXRVSA-N
Molecular Weight 536.483 g/mol
SMILES [C@]1(OC[C@]([C@@]([C@@]1(O[C@@]1([C@](OC(C)=O)([C@@](OC(C)=O)([C@@]([C@](O1)(C(=O)OC)[H])(OC)[H])[H])[H])[H])[H])(OC(C)=O)[H])(OC(=O)C)[H])(OC)[H]