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HEXAKIS-(2,3-DI-O-METHYL)-ALPHA-CYCLODEXTRIN
SpectraBase Compound ID 5sM4tZh62Wf
InChI InChI=1S/C48H84O30/c1-55-31-25-19(13-49)67-43(37(31)61-7)74-26-20(14-50)69-45(39(63-9)32(26)56-2)76-28-22(16-52)71-47(41(65-11)34(28)58-4)78-30-24(18-54)72-48(42(66-12)36(30)60-6)77-29-23(17-53)70-46(40(64-10)35(29)59-5)75-27-21(15-51)68-44(73-25)38(62-8)33(27)57-3/h19-54H,13-18H2,1-12H3/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKey OZAPVJXZLWCMMI-LZJZZLLASA-N
Mol Weight 1141.2 g/mol
Molecular Formula C48H84O30
Exact Mass 1140.504741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nUp9FqU3w5
Name HEXAKIS-(2,3-DI-O-METHYL)-ALPHA-CYCLODEXTRIN
Compound Number DM-ALPHA-CD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H84O30
InChI InChI=1S/C48H84O30/c1-55-31-25-19(13-49)67-43(37(31)61-7)74-26-20(14-50)69-45(39(63-9)32(26)56-2)76-28-22(16-52)71-47(41(65-11)34(28)58-4)78-30-24(18-54)72-48(42(66-12)36(30)60-6)77-29-23(17-53)70-46(40(64-10)35(29)59-5)75-27-21(15-51)68-44(73-25)38(62-8)33(27)57-3/h19-54H,13-18H2,1-12H3/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKey OZAPVJXZLWCMMI-LZJZZLLASA-N
Literature Reference Author P.R.ASHTON,E.Y.HARTWELL,D.PHILP,N.SPENCER,J.F.STODDART
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1263(1995)
Literature Reference DOI 10.1039/p29950001263
Molecular Weight 1141.177 g/mol
Solvent D2O