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5-O-BENZOYL-1,2-O-ISOPROPYLIDENE-3-SPIRO-(4'-AMINOBENZYL-2'-N-BENZYL-2',3'-DIHYDRO-1',1'-DIOXIDE-2',3'-ISOTHIAZOLYL)-ALPHA-D-RIBOFURANOSE
SpectraBase Compound ID 5YamSAE16ve
InChI InChI=1S/C31H30N2O8S/c1-30(2)40-26-29(41-30)39-25(19-38-28(35)23-16-10-5-11-17-23)31(26)24(32-27(34)22-14-8-4-9-15-22)20-42(36,37)33(31)18-21-12-6-3-7-13-21/h3-17,20,25-26,29H,18-19H2,1-2H3,(H,32,34)/t25-,26+,29-,31-/m0/s1
InChIKey CULMRBZCAQDGDK-OOSQEKNGSA-N
Mol Weight 590.65 g/mol
Molecular Formula C31H30N2O8S
Exact Mass 590.172287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bR8c74dNqu
Name 5-O-BENZOYL-1,2-O-ISOPROPYLIDENE-3-SPIRO-(4'-AMINOBENZYL-2'-N-BENZYL-2',3'-DIHYDRO-1',1'-DIOXIDE-2',3'-ISOTHIAZOLYL)-ALPHA-D-RIBOFURANOSE
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30N2O8S
InChI InChI=1S/C31H30N2O8S/c1-30(2)40-26-29(41-30)39-25(19-38-28(35)23-16-10-5-11-17-23)31(26)24(32-27(34)22-14-8-4-9-15-22)20-42(36,37)33(31)18-21-12-6-3-7-13-21/h3-17,20,25-26,29H,18-19H2,1-2H3,(H,32,34)/t25-,26+,29-,31-/m0/s1
InChIKey CULMRBZCAQDGDK-OOSQEKNGSA-N
Literature Reference Author L.DOMINGUEZ,A.N.V.NHIEN,C.TOMASSI,C.LEN,D.POSTEL,J.MARCO-CON TELLES
Literature Reference Citation J.ORG.CHEM.,69,843(2004)
Literature Reference DOI 10.1021/jo035301g
Molecular Weight 590.648 g/mol
Solvent CDCl3
Source File Reference UWVN21581