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BIS-[3-(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-CHLOROACETYL-AMINE
SpectraBase Compound ID Cjbdm3sDa3Z
InChI InChI=1S/C36H54ClN3O17S2/c1-18-29(52-20(3)41)31(54-22(5)43)33(56-24(7)45)35(50-18)58-16-26(47)38-11-9-13-40(28(49)15-37)14-10-12-39-27(48)17-59-36-34(57-25(8)46)32(55-23(6)44)30(19(2)51-36)53-21(4)42/h18-19,29-36H,9-17H2,1-8H3,(H,38,47)(H,39,48)/t18-,19-,29-,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKey YEXDIVGZUBBRLX-PRKWMPORSA-N
Mol Weight 900.4 g/mol
Molecular Formula C36H54ClN3O17S2
Exact Mass 899.258317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVM2mDnVCef
Name BIS-[3-(2,3,4-TRI-O-ACETYL-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-1-THIO-METHYLCARBONYLAMINO)-PROPYL]-N-CHLOROACETYL-AMINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54ClN3O17S2
InChI InChI=1S/C36H54ClN3O17S2/c1-18-29(52-20(3)41)31(54-22(5)43)33(56-24(7)45)35(50-18)58-16-26(47)38-11-9-13-40(28(49)15-37)14-10-12-39-27(48)17-59-36-34(57-25(8)46)32(55-23(6)44)30(19(2)51-36)53-21(4)42/h18-19,29-36H,9-17H2,1-8H3,(H,38,47)(H,39,48)/t18-,19-,29-,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKey YEXDIVGZUBBRLX-PRKWMPORSA-N
Literature Reference Author F.ORTEGA-CABALLERO,J.J.GIMENEZ-MARTINEZ,L.GARCIA-FUENTES,E.O RTIZ-SALMERON,F.SANT
Literature Reference Citation J.ORG.CHEM.,66,7786(2001)
Literature Reference DOI 10.1021/jo015875q
Molecular Weight 900.408 g/mol
Solvent DMSO-D6
Source File Reference UWVN25960