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(2S,3R,5R)-2,3-DIBENOYLOXY-5-(2',3',5'-TRI-O-BENZOYL-ALPHA-D-ARABINOFURANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL
SpectraBase Compound ID L59yCEUUtaS
InChI InChI=1S/C48H42O12S2/c49-42(31-16-6-1-7-17-31)54-30-38-39(58-44(51)33-20-10-3-11-21-33)40(59-45(52)34-22-12-4-13-23-34)47(57-38)55-36-28-37(56-43(50)32-18-8-2-9-19-32)41(48(29-36)61-26-27-62-48)60-46(53)35-24-14-5-15-25-35/h1-25,36-41,47H,26-30H2/t36-,37-,38-,39-,40+,41+,47+/m0/s1
InChIKey FCECUWNQCMTESM-DPVIPAESSA-N
Mol Weight 875.0 g/mol
Molecular Formula C48H42O12S2
Exact Mass 874.211769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FA7QxKOeCT
Name (2S,3R,5R)-2,3-DIBENOYLOXY-5-(2',3',5'-TRI-O-BENZOYL-ALPHA-D-ARABINOFURANOSYLOXY)-CYCLOHEXANONE-ETHYLENE-DITHIOACETAL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H42O12S2
InChI InChI=1S/C48H42O12S2/c49-42(31-16-6-1-7-17-31)54-30-38-39(58-44(51)33-20-10-3-11-21-33)40(59-45(52)34-22-12-4-13-23-34)47(57-38)55-36-28-37(56-43(50)32-18-8-2-9-19-32)41(48(29-36)61-26-27-62-48)60-46(53)35-24-14-5-15-25-35/h1-25,36-41,47H,26-30H2/t36-,37-,38-,39-,40+,41+,47+/m0/s1
InChIKey FCECUWNQCMTESM-DPVIPAESSA-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 874.974 g/mol
Solvent CDCl3
Source File Reference UWSW404