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.alpha.-D-Glucofuranose, 1,2-o-(1-methylethylidene)-, 6-(2,2-dimethylpropanoate) 3-(S-methyl carbonodithioate)
SpectraBase Compound ID LwsaPP0moWr
InChI InChI=1S/C16H26O7S2/c1-15(2,3)13(18)19-7-8(17)9-10(21-14(24)25-6)11-12(20-9)23-16(4,5)22-11/h8-12,17H,7H2,1-6H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey RBKFTFKRGUBTRO-RMPHRYRLSA-N
Mol Weight 394.5 g/mol
Molecular Formula C16H26O7S2
Exact Mass 394.111996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Anoh9Yzh02D
Name .alpha.-D-Glucofuranose, 1,2-o-(1-methylethylidene)-, 6-(2,2-dimethylpropanoate) 3-(S-methyl carbonodithioate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.111995518 u
Formula C16H26O7S2
InChI InChI=1S/C16H26O7S2/c1-15(2,3)13(18)19-7-8(17)9-10(21-14(24)25-6)11-12(20-9)23-16(4,5)22-11/h8-12,17H,7H2,1-6H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey RBKFTFKRGUBTRO-RMPHRYRLSA-N
Molecular Weight 394.497 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OC(=S)SC)[H])([C@@](COC(C(C)(C)C)=O)(O)[H])[H])(OC(O1)(C)C)[H])[H]