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6,6'-O,O-DIDODECANOYL-ALPHA,ALPHA-TREHALOSE

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6,6'-O,O-DIDODECANOYL-ALPHA,ALPHA-TREHALOSE
SpectraBase Compound ID IKwxGpR6OEW
InChI InChI=1S/C36H66O13/c1-3-5-7-9-11-13-15-17-19-21-27(37)45-23-25-29(39)31(41)33(43)35(47-25)49-36-34(44)32(42)30(40)26(48-36)24-46-28(38)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-36,39-44H,3-24H2,1-2H3/t25-,26+,29-,30+,31+,32-,33-,34+,35-,36+
InChIKey WGENBMHNTASKPP-MYZPIMFXSA-N
Mol Weight 706.9 g/mol
Molecular Formula C36H66O13
Exact Mass 706.450342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Zwmhqo5dAX
Name 6,6'-O,O-DIDODECANOYL-ALPHA,ALPHA-TREHALOSE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H66O13
InChI InChI=1S/C36H66O13/c1-3-5-7-9-11-13-15-17-19-21-27(37)45-23-25-29(39)31(41)33(43)35(47-25)49-36-34(44)32(42)30(40)26(48-36)24-46-28(38)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-36,39-44H,3-24H2,1-2H3/t25-,26+,29-,30+,31+,32-,33-,34+,35-,36+
InChIKey WGENBMHNTASKPP-MYZPIMFXSA-N
Literature Reference Author M.GELO-PUJIC,E.GUIBE-JAMPEL,A.LOUPY,S.A.GALEMA,D.MATHE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2777(1996)
Literature Reference DOI 10.1039/p19960002777
Molecular Weight 706.912 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3173