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(1-ALPHA,2-ALPHA,3-BETA,4-ALPHA,5-ALPHA,6-BETA)-3,6-DIAMINO-1,2,4,5-CYCLOHEXA-TETRAYL-TETRAKIS-(4-METHYLPHENYLSULFONATE)
SpectraBase Compound ID Kzrv6nEGdr5
InChI InChI=1S/C34H38N2O12S4/c1-21-5-13-25(14-6-21)49(37,38)45-31-29(35)33(47-51(41,42)27-17-9-23(3)10-18-27)34(48-52(43,44)28-19-11-24(4)12-20-28)30(36)32(31)46-50(39,40)26-15-7-22(2)8-16-26/h5-20,29-34H,35-36H2,1-4H3/t29-,30+,31-,32+,33+,34-
InChIKey WKMJZJMASNYLLW-VWVUVQNPSA-N
Mol Weight 794.9 g/mol
Molecular Formula C34H38N2O12S4
Exact Mass 794.130759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2k5f7o3shZ
Name (1-ALPHA,2-ALPHA,3-BETA,4-ALPHA,5-ALPHA,6-BETA)-3,6-DIAMINO-1,2,4,5-CYCLOHEXA-TETRAYL-TETRAKIS-(4-METHYLPHENYLSULFONATE)
CAS Registry Number 133796-54-0
Compound Number 31C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38N2O12S4
InChI InChI=1S/C34H38N2O12S4/c1-21-5-13-25(14-6-21)49(37,38)45-31-29(35)33(47-51(41,42)27-17-9-23(3)10-18-27)34(48-52(43,44)28-19-11-24(4)12-20-28)30(36)32(31)46-50(39,40)26-15-7-22(2)8-16-26/h5-20,29-34H,35-36H2,1-4H3/t29-,30+,31-,32+,33+,34-
InChIKey WKMJZJMASNYLLW-VWVUVQNPSA-N
Literature Reference Author B.TRUPP,H.FRITZ,H.PRINZBACH,H.IRNGARTINGER,U.REIFENSTAHL
Literature Reference Citation CHEM.BER.,124,1777(1991)
Literature Reference DOI 10.1002/cber.19911240815
Molecular Weight 794.922 g/mol
Solvent CD3CN
Source File Reference UWCS11735