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PHENYL-3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GLUCOPYRANOSYL-(1->6)-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID DxOppP6j2Jc
InChI InChI=1S/C26H32Cl3NO13S/c1-11(31)38-10-16-21(40-12(2)32)22(41-13(3)33)17(30-25(37)26(27,28)29)23(42-16)39-9-15-18(34)19(35)20(36)24(43-15)44-14-7-5-4-6-8-14/h4-8,15-24,34-36H,9-10H2,1-3H3,(H,30,37)/t15-,16+,17+,18-,19+,20-,21+,22+,23+,24+/m0/s1
InChIKey IFPMMPWJMCFEHI-RABZJFBRSA-N
Mol Weight 705.0 g/mol
Molecular Formula C26H32Cl3NO13S
Exact Mass 703.065994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoD8ZtnbvRN
Name PHENYL-3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GLUCOPYRANOSYL-(1->6)-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32Cl3NO13S
InChI InChI=1S/C26H32Cl3NO13S/c1-11(31)38-10-16-21(40-12(2)32)22(41-13(3)33)17(30-25(37)26(27,28)29)23(42-16)39-9-15-18(34)19(35)20(36)24(43-15)44-14-7-5-4-6-8-14/h4-8,15-24,34-36H,9-10H2,1-3H3,(H,30,37)/t15-,16+,17+,18-,19+,20-,21+,22+,23+,24+/m0/s1
InChIKey IFPMMPWJMCFEHI-RABZJFBRSA-N
Literature Reference Author A.MAGGI,R.MADSEN
Literature Reference Citation EUR.J.ORG.CHEM.,2013,2683(2013)
Literature Reference DOI 10.1002/ejoc.201300026
Molecular Weight 704.958 g/mol
Solvent CDCl3
Source File Reference UWBT18523