John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5MP684ZJP6f SpectraBase Spectrum ID=HP7wO9l7rcI

(accessed ).
DICYCLOHEXYLMETHYL_2,3,4-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5MP684ZJP6f
InChI InChI=1S/C40H52O5S/c41-26-35-36(42-27-30-16-6-1-7-17-30)37(43-28-31-18-8-2-9-19-31)38(44-29-32-20-10-3-11-21-32)40(45-35)46-39(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-3,6-11,16-21,33-41H,4-5,12-15,22-29H2/t35-,36-,37+,38-,40+/m1/s1
InChIKey MXVUBMOPTBDRLY-CWWODHOVSA-N
Mol Weight 644.9 g/mol
Molecular Formula C40H52O5S
Exact Mass 644.353547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HP7wO9l7rcI
Name DICYCLOHEXYLMETHYL_2,3,4-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 7-BETA
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52O5S
InChI InChI=1S/C40H52O5S/c41-26-35-36(42-27-30-16-6-1-7-17-30)37(43-28-31-18-8-2-9-19-31)38(44-29-32-20-10-3-11-21-32)40(45-35)46-39(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-3,6-11,16-21,33-41H,4-5,12-15,22-29H2/t35-,36-,37+,38-,40+/m1/s1
InChIKey MXVUBMOPTBDRLY-CWWODHOVSA-N
Literature Reference Author R.GEURTSEN,D.S.HOLMES,G.J.BOONS
Literature Reference Citation J.ORG.CHEM.,62,8145(1997)
Literature Reference DOI 10.1021/jo971233k
Molecular Weight 644.910 g/mol
Solvent CDCl3
Source File Reference UWMZ5261
SpectraBase Batch ID 6t4OJmYSLDG