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.alpha.-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 4-benzoate 3,6-bis(2,2-dimethylpropanoate) 2-methanesulfonate
SpectraBase Compound ID 6Z7mjARyLDd
InChI InChI=1S/C50H76O20S/c1-44(2,3)38(52)60-25-29-31(65-40(54)46(7,8)9)33(66-41(55)47(10,11)12)34(37(63-29)68-43(57)49(16,17)18)62-27-50(70-71(19,58)59)35(67-42(56)48(13,14)15)32(64-36(51)28-23-21-20-22-24-28)30(69-50)26-61-39(53)45(4,5)6/h20-24,29-35,37H,25-27H2,1-19H3
InChIKey DZNKBKFYLKCSQJ-UHFFFAOYSA-N
Mol Weight 1029.2 g/mol
Molecular Formula C50H76O20S
Exact Mass 1028.465066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B82RR6bMbWJ
Name .alpha.-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 4-benzoate 3,6-bis(2,2-dimethylpropanoate) 2-methanesulfonate
Alternate Name(s) 1,3,4,6-Tetra-O-pivaloyl.beta.-D-fructofuranosyl 4-O-benzoyl-2-O-mesyl-3,6-di-O-pivaloyl.alpha.-D-galactopyranoside 4-[(2,2-dimethylpropanoyl)oxy]-2-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-(methanesulfonyloxy)-5-[({2,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-{[(2,2-dimethylpropanoyl)oxy]methyl}oxan-3-yl}oxy)methyl]oxolan-3-yl benzoate
CAS Registry Number 90634-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H76O20S
InChI InChI=1S/C50H76O20S/c1-44(2,3)38(52)60-25-29-31(65-40(54)46(7,8)9)33(66-41(55)47(10,11)12)34(37(63-29)68-43(57)49(16,17)18)62-27-50(70-71(19,58)59)35(67-42(56)48(13,14)15)32(64-36(51)28-23-21-20-22-24-28)30(69-50)26-61-39(53)45(4,5)6/h20-24,29-35,37H,25-27H2,1-19H3
InChIKey DZNKBKFYLKCSQJ-UHFFFAOYSA-N
Molecular Weight 1029.198 g/mol
SMILES C1(C(C(OC(=O)c2ccccc2)C(O1)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O)(OS(=O)(=O)C)COC1C(C(OC(C(C)(C)C)=O)C(OC1OC(C(C)(C)C)=O)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O
SPLASH splash10-0a4i-9010010000-1a31d4910e669a22112d
Source of Spectrum KC-1984-427-0
Wiley ID 1418464