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#7;KINGIANOSIDE-E;(25R)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-
SpectraBase Compound ID CyjwZCJ2SfX
InChI InChI=1S/C51H82O25/c1-19(18-68-45-40(64)36(60)33(57)27(14-52)70-45)7-10-51(67)20(2)32-26(76-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)69-46-42(66)39(63)43(30(17-55)73-46)74-48-44(38(62)35(59)29(16-54)72-48)75-47-41(65)37(61)34(58)28(15-53)71-47/h5,19-20,22-30,32-48,52-55,57-67H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50-,51?/m1/s1
InChIKey UOYJKVXIKOXLKU-AZEIMLEKSA-N
Mol Weight 1095.2 g/mol
Molecular Formula C51H82O25
Exact Mass 1094.514518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZBYBpVvphM
Name #7;KINGIANOSIDE-E;(25R)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H82O25
InChI InChI=1S/C51H82O25/c1-19(18-68-45-40(64)36(60)33(57)27(14-52)70-45)7-10-51(67)20(2)32-26(76-51)12-25-23-6-5-21-11-22(8-9-49(21,3)24(23)13-31(56)50(25,32)4)69-46-42(66)39(63)43(30(17-55)73-46)74-48-44(38(62)35(59)29(16-54)72-48)75-47-41(65)37(61)34(58)28(15-53)71-47/h5,19-20,22-30,32-48,52-55,57-67H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50-,51?/m1/s1
InChIKey UOYJKVXIKOXLKU-AZEIMLEKSA-N
Literature Reference Author J.ZHANG,B.P.MA,L.P.KANG,H.S.YU,Y.YANG,X.Z.YAN,F.T.DONG
Literature Reference Citation CHEM.PHARM.BULL.,54,931(2006)
Literature Reference DOI 10.1248/cpb.54.931
Molecular Weight 1095.197 g/mol
Sample ID 37170
Solvent C5D5N