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1,4,6-TRI-O-ACETYL-2,3-DI-O-(3,4,6-TRI-O-ACETYL-2-N-ALLYLOXYCARBONYLAMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-ALPHA-D-MANNOPYRANOSE
SpectraBase Compound ID 5cdVij9Texs
InChI InChI=1S/C44H60N2O27/c1-12-14-58-43(56)45-31-36(66-25(9)53)33(63-22(6)50)28(16-60-19(3)47)69-40(31)72-38-35(65-24(8)52)30(18-62-21(5)49)71-42(68-27(11)55)39(38)73-41-32(46-44(57)59-15-13-2)37(67-26(10)54)34(64-23(7)51)29(70-41)17-61-20(4)48/h12-13,28-42H,1-2,14-18H2,3-11H3,(H,45,56)(H,46,57)/t28-,29+,30?,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,41-,42-/m0/s1
InChIKey LHAQPKQKDFCPEU-WTXWCFSDSA-N
Mol Weight 1049.0 g/mol
Molecular Formula C44H60N2O27
Exact Mass 1048.338345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbGy7jCx8qx
Name 1,4,6-TRI-O-ACETYL-2,3-DI-O-(3,4,6-TRI-O-ACETYL-2-N-ALLYLOXYCARBONYLAMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-ALPHA-D-MANNOPYRANOSE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H60N2O27
InChI InChI=1S/C44H60N2O27/c1-12-14-58-43(56)45-31-36(66-25(9)53)33(63-22(6)50)28(16-60-19(3)47)69-40(31)72-38-35(65-24(8)52)30(18-62-21(5)49)71-42(68-27(11)55)39(38)73-41-32(46-44(57)59-15-13-2)37(67-26(10)54)34(64-23(7)51)29(70-41)17-61-20(4)48/h12-13,28-42H,1-2,14-18H2,3-11H3,(H,45,56)(H,46,57)/t28-,29+,30?,31-,32+,33-,34+,35+,36-,37+,38-,39-,40+,41-,42-/m0/s1
InChIKey LHAQPKQKDFCPEU-WTXWCFSDSA-N
Literature Reference Author D.LAFONT,P.BOULLANGER,J.BANOUB,G.DESCOTES
Literature Reference Citation CAN.J.CHEM.,68,828(1990)
Literature Reference DOI 10.1139/v90-131
Molecular Weight 1048.958 g/mol
Solvent ACETONE-D6
Source File Reference UWCS1476