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(2S,3R,5R)-3-AZIDO-2-BENZOYLOXY-5-(2',3'-O-ISOPROPYLIDENE-5'-O-PARA-NITROBENZOYL-ALPHA-D-RIBOFURANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL

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(2S,3R,5R)-3-AZIDO-2-BENZOYLOXY-5-(2',3'-O-ISOPROPYLIDENE-5'-O-PARA-NITROBENZOYL-ALPHA-D-RIBOFURANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL
SpectraBase Compound ID EmrmCGnrjYJ
InChI InChI=1S/C30H32N4O10S2/c1-29(2)43-23-22(16-39-26(35)18-8-10-19(11-9-18)34(37)38)41-28(24(23)44-29)40-20-14-21(32-33-31)25(30(15-20)45-12-13-46-30)42-27(36)17-6-4-3-5-7-17/h3-11,20-25,28H,12-16H2,1-2H3/t20-,21-,22-,23-,24-,25+,28+/m0/s1
InChIKey KYFDFICFEPMRLR-ZYALDPPTSA-N
Mol Weight 672.7 g/mol
Molecular Formula C30H32N4O10S2
Exact Mass 672.155986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lAqvl1lvTL
Name (2S,3R,5R)-3-AZIDO-2-BENZOYLOXY-5-(2',3'-O-ISOPROPYLIDENE-5'-O-PARA-NITROBENZOYL-ALPHA-D-RIBOFURANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32N4O10S2
InChI InChI=1S/C30H32N4O10S2/c1-29(2)43-23-22(16-39-26(35)18-8-10-19(11-9-18)34(37)38)41-28(24(23)44-29)40-20-14-21(32-33-31)25(30(15-20)45-12-13-46-30)42-27(36)17-6-4-3-5-7-17/h3-11,20-25,28H,12-16H2,1-2H3/t20-,21-,22-,23-,24-,25+,28+/m0/s1
InChIKey KYFDFICFEPMRLR-ZYALDPPTSA-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 672.725 g/mol
Solvent CD3OD
Source File Reference UWSW409