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SWMBHEGOMCEPDC-QXIJIGQZSA-N

View entire compound with spectra: 1 NMR

SWMBHEGOMCEPDC-QXIJIGQZSA-N
SpectraBase Compound ID F6fkSb80jT6
InChI InChI=1S/C42H44O14S2/c1-5-21-49-42-38(58-34-22-31(52-26(3)44)35(53-27(4)45)33(57-34)24-50-25(2)43)37(56-41(48)30-19-13-8-14-20-30)36(55-40(47)29-17-11-7-12-18-29)32(54-42)23-51-39(46)28-15-9-6-10-16-28/h6-20,22,32-38,42H,5,21,23-24H2,1-4H3/t32-,33+,34-,35-,36-,37+,38-,42-/m1/s1
InChIKey SWMBHEGOMCEPDC-QXIJIGQZSA-N
Mol Weight 836.9 g/mol
Molecular Formula C42H44O14S2
Exact Mass 836.217248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EeKF2C5Wny
Name SWMBHEGOMCEPDC-QXIJIGQZSA-N
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44O14S2
InChI InChI=1S/C42H44O14S2/c1-5-21-49-42-38(58-34-22-31(52-26(3)44)35(53-27(4)45)33(57-34)24-50-25(2)43)37(56-41(48)30-19-13-8-14-20-30)36(55-40(47)29-17-11-7-12-18-29)32(54-42)23-51-39(46)28-15-9-6-10-16-28/h6-20,22,32-38,42H,5,21,23-24H2,1-4H3/t32-,33+,34-,35-,36-,37+,38-,42-/m1/s1
InChIKey SWMBHEGOMCEPDC-QXIJIGQZSA-N
Literature Reference Author J.S.ANDREWS,B.D.JOHNSTON,B.M.PINTO
Literature Reference Citation CARBOHYDR.RES.,310,27(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00165-7
Molecular Weight 836.923 g/mol
Solvent CDCl3
Source File Reference UWRU5227