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(2S,3R,5R)-3-AZIDO-2-BENZYLOXY-5(2'-DEOXY-2'-PHTHALIMIDO-3',4',6'-TRI-O-ACETYL-ALPHA-D-GUCOPYRANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL
SpectraBase Compound ID xZvRtj2Z1d
InChI InChI=1S/C35H39N4O11S2/c1-20(40)45-19-28-30(47-21(2)41)31(48-22(3)42)29(39(44)17-24-11-7-8-12-26(24)33(39)43)34(50-28)49-25-15-27(37-38-36)32(35(16-25)51-13-14-52-35)46-18-23-9-5-4-6-10-23/h4-12,17,25,27-32,34H,13-16,18-19H2,1-3H3/t25-,27-,28-,29-,30-,31-,32+,34+/m0/s1
InChIKey VEYGMXUKHBKVFB-BMNFCAOBSA-N
Mol Weight 755.8 g/mol
Molecular Formula C35H39N4O11S2
Exact Mass 755.205675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zD2zDDPN5J
Name (2S,3R,5R)-3-AZIDO-2-BENZYLOXY-5(2'-DEOXY-2'-PHTHALIMIDO-3',4',6'-TRI-O-ACETYL-ALPHA-D-GUCOPYRANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H39N4O11S2
InChI InChI=1S/C35H39N4O11S2/c1-20(40)45-19-28-30(47-21(2)41)31(48-22(3)42)29(39(44)17-24-11-7-8-12-26(24)33(39)43)34(50-28)49-25-15-27(37-38-36)32(35(16-25)51-13-14-52-35)46-18-23-9-5-4-6-10-23/h4-12,17,25,27-32,34H,13-16,18-19H2,1-3H3/t25-,27-,28-,29-,30-,31-,32+,34+/m0/s1
InChIKey VEYGMXUKHBKVFB-BMNFCAOBSA-N
Literature Reference Author I.F.PELYVAS,M.MADI-PUSKAS,Z.G.TOTH,Z.VARGA,M.HORNYAK,G.BATTA ,F.SZTARICSKAI
Literature Reference Citation J.ANTIBIOTICS,48,683(1995)
Literature Reference DOI 10.7164/antibiotics.48.683
Molecular Weight 755.835 g/mol
Solvent ACETONE-D6