John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=50t7OhHnqiv SpectraBase Spectrum ID=29zkWSDlUzt

(accessed ).
CUCURBITAGLYCOSIDE-A;6-N-(2-BETA-D-GLUCOPYRANOSYLOXY-16-R,20-R,25-TRIHYDROXY-CUCURBITA-1,5-DIENE-3,11,22-TRIONE-24-YL)-ADENOSINE
SpectraBase Compound ID 50t7OhHnqiv
InChI InChI=1S/C46H65N5O16/c1-41(2)19-9-10-25-43(5)13-21(54)35(44(43,6)14-28(56)45(25,7)20(19)11-22(36(41)62)66-40-34(61)32(59)30(57)24(16-53)67-40)46(8,64)27(55)12-26(42(3,4)63)50-37-29-38(48-17-47-37)51(18-49-29)39-33(60)31(58)23(15-52)65-39/h9,11,17-18,20-21,23-26,30-35,39-40,52-54,57-61,63-64H,10,12-16H2,1-8H3,(H,47,48,50)/t20-,21-,23-,24+,25+,26?,30+,31-,32-,33-,34+,35+,39-,40+,43+,44-,45+,46+/m1/s1
InChIKey URTOXXGIVHAQEK-DLUXORBTSA-N
Mol Weight 944.0 g/mol
Molecular Formula C46H65N5O16
Exact Mass 943.442632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29zkWSDlUzt
Name CUCURBITAGLYCOSIDE-A;6-N-(2-BETA-D-GLUCOPYRANOSYLOXY-16-R,20-R,25-TRIHYDROXY-CUCURBITA-1,5-DIENE-3,11,22-TRIONE-24-YL)-ADENOSINE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H65N5O16
InChI InChI=1S/C46H65N5O16/c1-41(2)19-9-10-25-43(5)13-21(54)35(44(43,6)14-28(56)45(25,7)20(19)11-22(36(41)62)66-40-34(61)32(59)30(57)24(16-53)67-40)46(8,64)27(55)12-26(42(3,4)63)50-37-29-38(48-17-47-37)51(18-49-29)39-33(60)31(58)23(15-52)65-39/h9,11,17-18,20-21,23-26,30-35,39-40,52-54,57-61,63-64H,10,12-16H2,1-8H3,(H,47,48,50)/t20-,21-,23-,24+,25+,26?,30+,31-,32-,33-,34+,35+,39-,40+,43+,44-,45+,46+/m1/s1
InChIKey URTOXXGIVHAQEK-DLUXORBTSA-N
Literature Reference Author D.C.WANG,H.XIANG,D.LI,H.Y.GAO,H.CAI,L.J.WU,X.M.DENG
Literature Reference Citation PHYTOCHEM.,69,1434(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.01.019
Molecular Weight 944.046 g/mol
Sample ID 44070
Solvent C5D5N
SpectraBase Batch ID Ag5lOnIWrDG