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.alpha.-D-Galactopyranosiduronic acid, methyl 3,4-o-(1-methylethylidene)-2-(2,3,4,6-tetra-o-methyl-.beta.-D-glucopyranosyl)-, methyl ester

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.alpha.-D-Galactopyranosiduronic acid, methyl 3,4-o-(1-methylethylidene)-2-(2,3,4,6-tetra-o-methyl-.beta.-D-glucopyranosyl)-, methyl ester
SpectraBase Compound ID 2jdmVwLuPg5
InChI InChI=1S/C21H36O12/c1-21(2)32-13-14(33-21)17(19(28-8)30-15(13)18(22)27-7)31-20-16(26-6)12(25-5)11(24-4)10(29-20)9-23-3/h10-17,19-20H,9H2,1-8H3
InChIKey OEXDAWDOCPPDEJ-UHFFFAOYSA-N
Mol Weight 480.5 g/mol
Molecular Formula C21H36O12
Exact Mass 480.220677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwkA7DQDYXA
Name .alpha.-D-Galactopyranosiduronic acid, methyl 3,4-o-(1-methylethylidene)-2-(2,3,4,6-tetra-o-methyl-.beta.-D-glucopyranosyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.220676587 u
Formula C21H36O12
InChI InChI=1S/C21H36O12/c1-21(2)32-13-14(33-21)17(19(28-8)30-15(13)18(22)27-7)31-20-16(26-6)12(25-5)11(24-4)10(29-20)9-23-3/h10-17,19-20H,9H2,1-8H3
InChIKey OEXDAWDOCPPDEJ-UHFFFAOYSA-N
Molecular Weight 480.507 g/mol
SMILES [C@]1([C@]([C@](O[C@@]([C@@]1(OC)[H])(OC1C(OC(C2C1OC(O2)(C)C)C(=O)OC)OC)[H])(COC)[H])(OC)[H])(OC)[H]