d-Glucitol, 1-O-[2,3,4-tris(acetyloxy)-1-[1,2-bis(acetyloxy)ethyl]butyl]-, pentaacetate, [1R-[1R*(R*),2R*,3s*]]- - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	EF9q3DKLMwM
InChI	InChI=1S/C32H46O21/c1-15(33)43-11-25(47-18(4)36)29(30(51-22(8)40)26(48-19(5)37)12-44-16(2)34)46-14-28(50-21(7)39)32(53-24(10)42)31(52-23(9)41)27(49-20(6)38)13-45-17(3)35/h25-32H,11-14H2,1-10H3
InChIKey	HJUGHTLPYBIHCE-UHFFFAOYSA-N Google Search
Mol Weight	766.7 g/mol
Molecular Formula	C32H46O21
Exact Mass	766.253158 g/mol

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SpectraBase Spectrum ID	Dzpfd9Tr416
Name	D-Galactitol, 2,3,4,5,6-pentaacetate, anhydride with D-glucitol 1,2,3,5,6-pentaacetate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	766.253158480 u
Formula	C32H46O21
InChI	InChI=1S/C32H46O21/c1-15(33)43-11-25(47-18(4)36)29(30(51-22(8)40)26(48-19(5)37)12-44-16(2)34)46-14-28(50-21(7)39)32(53-24(10)42)31(52-23(9)41)27(49-20(6)38)13-45-17(3)35/h25-32H,11-14H2,1-10H3
InChIKey	HJUGHTLPYBIHCE-UHFFFAOYSA-N
Molecular Weight	766.699 g/mol
SMILES	C(OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)COC(C(OC(C)=O)C(OC(C)=O)COC(C)=O)C(OC(C)=O)COC(C)=O)(C)=O