7-[2'-O-BENZOYL-5'-O-BENZYL-3'-DEOXY-3'-(THEOPHYLLIN-7''-YL)-ALPHA-D-LYXOFURANOSYL]-THEOPHYLLINE

SpectraBase Compound ID	3JNDrdZJpAS
InChI	InChI=1S/C33H32N8O8/c1-36-26-23(28(42)38(3)32(36)45)40(17-34-26)22-21(16-47-15-19-11-7-5-8-12-19)48-30(25(22)49-31(44)20-13-9-6-10-14-20)41-18-35-27-24(41)29(43)39(4)33(46)37(27)2/h5-14,17-18,21-22,25,30H,15-16H2,1-4H3/t21-,22+,25+,30+/m1/s1
InChIKey	GPGZZYHNVYVAIV-PLSLEMJSSA-N Google Search
Mol Weight	668.7 g/mol
Molecular Formula	C33H32N8O8
Exact Mass	668.23431 g/mol

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SpectraBase Spectrum ID	4iZ0VMu3MmX
Name	7-[2'-O-BENZOYL-5'-O-BENZYL-3'-DEOXY-3'-(THEOPHYLLIN-7''-YL)-ALPHA-D-LYXOFURANOSYL]-THEOPHYLLINE
Compound Number	6-BZ
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C33H32N8O8
InChI	InChI=1S/C33H32N8O8/c1-36-26-23(28(42)38(3)32(36)45)40(17-34-26)22-21(16-47-15-19-11-7-5-8-12-19)48-30(25(22)49-31(44)20-13-9-6-10-14-20)41-18-35-27-24(41)29(43)39(4)33(46)37(27)2/h5-14,17-18,21-22,25,30H,15-16H2,1-4H3/t21-,22+,25+,30+/m1/s1
InChIKey	GPGZZYHNVYVAIV-PLSLEMJSSA-N
Literature Reference Author	L.A.D.CIENFUEGOS,A.J.MOTA,R.ROBLES
Literature Reference Citation	ORG.LETTERS,7,2161(2005)
Literature Reference DOI	10.1021/ol050496v
Molecular Weight	668.666 g/mol
Sample ID	42850
Solvent	CDCl3