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8-CHLOROLO-1-METHYL-4-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID 8tUpMQVCKhC
InChI InChI=1S/C36H29ClN2O8/c1-39-28-19-25(37)17-18-26(28)38-27(20-30(39)40)31-33(47-36(43)24-15-9-4-10-16-24)32(46-35(42)23-13-7-3-8-14-23)29(45-31)21-44-34(41)22-11-5-2-6-12-22/h2-20,29,31-33,38H,21H2,1H3/t29-,31+,32-,33+/m0/s1
InChIKey VVEMWFGFSDYJQV-CVDVVEHVSA-N
Mol Weight 653.1 g/mol
Molecular Formula C36H29ClN2O8
Exact Mass 652.161244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ly27Iqz1pn
Name 8-CHLOROLO-1-METHYL-4-[1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H29ClN2O8
InChI InChI=1S/C36H29ClN2O8/c1-39-28-19-25(37)17-18-26(28)38-27(20-30(39)40)31-33(47-36(43)24-15-9-4-10-16-24)32(46-35(42)23-13-7-3-8-14-23)29(45-31)21-44-34(41)22-11-5-2-6-12-22/h2-20,29,31-33,38H,21H2,1H3/t29-,31+,32-,33+/m0/s1
InChIKey VVEMWFGFSDYJQV-CVDVVEHVSA-N
Literature Reference Author Y.ITO,M.WAKIMURA,C.ITO,I.MAEBA
Literature Reference Citation HETEROCYCLES,34,955(1992)
Literature Reference DOI 10.3987/COM-91-5966
Molecular Weight 653.088 g/mol
Solvent CDCl3
Source File Reference UWGE2411