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A,C-Bis(mesitylsulfonyl).alpha.-cyclodextrin

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A,C-Bis(mesitylsulfonyl).alpha.-cyclodextrin
SpectraBase Compound ID 4f1pvsPNwR2
InChI InChI=1S/C54H80O34S2/c1-17-7-19(3)47(20(4)8-17)89(71,72)75-15-27-45-34(64)40(70)54(82-27)86-44-26(14-58)80-52(38(68)32(44)62)88-46-28(16-76-90(73,74)48-21(5)9-18(2)10-22(48)6)81-53(39(69)33(46)63)85-43-25(13-57)78-50(36(66)30(43)60)83-41-23(11-55)77-49(35(65)29(41)59)84-42-24(12-56)79-51(87-45)37(67)31(42)61/h7-10,23-46,49-70H,11-16H2,1-6H3
InChIKey VYXYBYIXWIUXIY-UHFFFAOYSA-N
Mol Weight 1337.3 g/mol
Molecular Formula C54H80O34S2
Exact Mass 1336.397242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LOB4Babe4
Name A,C-Bis(mesitylsulfonyl).alpha.-cyclodextrin
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C54H80O34S2
InChI InChI=1S/C54H80O34S2/c1-17-7-19(3)47(20(4)8-17)89(71,72)75-15-27-45-34(64)40(70)54(82-27)86-44-26(14-58)80-52(38(68)32(44)62)88-46-28(16-76-90(73,74)48-21(5)9-18(2)10-22(48)6)81-53(39(69)33(46)63)85-43-25(13-57)78-50(36(66)30(43)60)83-41-23(11-55)77-49(35(65)29(41)59)84-42-24(12-56)79-51(87-45)37(67)31(42)61/h7-10,23-46,49-70H,11-16H2,1-6H3
InChIKey VYXYBYIXWIUXIY-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference K. Fujita, H. Yamamura, A. Matsunaga, J. Am. Chem. Soc. 108, 4509 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6