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ISOJASPOLYOSIDE-A
SpectraBase Compound ID HJ1wCYziZab
InChI InChI=1S/C42H54O23/c1-5-19-21(12-29(47)58-10-9-18-7-8-25(45)26(46)11-18)23(37(54)56-3)16-60-40(19)65-42-36(34(52)32(50)28(15-44)62-42)63-30(48)13-22-20(6-2)39(59-17-24(22)38(55)57-4)64-41-35(53)33(51)31(49)27(14-43)61-41/h5-8,11,16-17,21-22,27-28,31-36,39-46,49-53H,9-10,12-15H2,1-4H3/b19-5-,20-6-/t21-,22+,27+,28-,31+,32-,33-,34+,35+,36-,39+,40-,41-,42+/m0/s1
InChIKey HUQGXFLHNKGMGA-ZTQZHFCPSA-N
Mol Weight 926.9 g/mol
Molecular Formula C42H54O23
Exact Mass 926.305588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPmFB2qIQwQ
Name ISOJASPOLYOSIDE_A
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54O23
InChI InChI=1S/C42H54O23/c1-5-19-21(12-29(47)58-10-9-18-7-8-25(45)26(46)11-18)23(37(54)56-3)16-60-40(19)65-42-36(34(52)32(50)28(15-44)62-42)63-30(48)13-22-20(6-2)39(59-17-24(22)38(55)57-4)64-41-35(53)33(51)31(49)27(14-43)61-41/h5-8,11,16-17,21-22,27-28,31-36,39-46,49-53H,9-10,12-15H2,1-4H3/b19-5-,20-6-/t21-,22+,27+,28-,31+,32-,33-,34+,35+,36-,39+,40-,41-,42+/m0/s1
InChIKey HUQGXFLHNKGMGA-ZTQZHFCPSA-N
Literature Reference Author T.TANAHASHI,Y.TAKENAKA,M.AKIMOTO,A.OKUDA,Y.KUSUNOKI,C.SUEKAW A,N.NAGAKURA
Literature Reference Citation CHEM.PHARM.BULL.,45,367(1997)
Literature Reference DOI 10.1248/cpb.45.367
Molecular Weight 926.877 g/mol
Solvent CD3OD
Source File Reference UWMZ22369