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.alpha.-D-Glucopyranoside, 1,3,4,6-tetrakis-o-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 3,4,6-tris(2,2-dimethylpropanoate)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.alpha.-D-Glucopyranoside, 1,3,4,6-tetrakis-o-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 3,4,6-tris(2,2-dimethylpropanoate)
SpectraBase Compound ID BZKfufG39Fd
InChI InChI=1S/C47H78O18/c1-40(2,3)33(49)56-22-25-28(60-36(52)43(10,11)12)30(62-38(54)45(16,17)18)27(48)32(59-25)65-47(24-58-35(51)42(7,8)9)31(63-39(55)46(19,20)21)29(61-37(53)44(13,14)15)26(64-47)23-57-34(50)41(4,5)6/h25-32,48H,22-24H2,1-21H3
InChIKey IRSILCSEDCBLMS-UHFFFAOYSA-N
Mol Weight 931.1 g/mol
Molecular Formula C47H78O18
Exact Mass 930.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dkagIbGCRM
Name .alpha.-D-Glucopyranoside, 1,3,4,6-tetrakis-o-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 3,4,6-tris(2,2-dimethylpropanoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 930.518815654 u
Formula C47H78O18
InChI InChI=1S/C47H78O18/c1-40(2,3)33(49)56-22-25-28(60-36(52)43(10,11)12)30(62-38(54)45(16,17)18)27(48)32(59-25)65-47(24-58-35(51)42(7,8)9)31(63-39(55)46(19,20)21)29(61-37(53)44(13,14)15)26(64-47)23-57-34(50)41(4,5)6/h25-32,48H,22-24H2,1-21H3
InChIKey IRSILCSEDCBLMS-UHFFFAOYSA-N
Molecular Weight 931.123 g/mol
SMILES C1(C(C(OC(C(C)(C)C)=O)C(O1)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O)(OC1C(C(OC(C(C)(C)C)=O)C(C(O1)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O)O)COC(C(C)(C)C)=O