John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1469ZVTBaOs SpectraBase Spectrum ID=IoD2bRunwT1

(accessed ).
#1;SORBIFOLIASIDE-G;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-SANICULAGENIN-C-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->6)
SpectraBase Compound ID 1469ZVTBaOs
InChI InChI=1S/C60H98O29/c1-22-33(64)38(69)45(76)52(83-22)89-47-42(73)37(68)28(20-81-51-44(75)40(71)35(66)26(18-62)85-51)87-54(47)82-21-60-24(15-55(2,3)48(78)49(60)79)23-9-10-30-57(6)13-12-32(56(4,5)29(57)11-14-58(30,7)59(23,8)16-31(60)63)88-53-46(77)41(72)36(67)27(86-53)19-80-50-43(74)39(70)34(65)25(17-61)84-50/h9,22,24-30,32-54,61-62,64-79H,10-21H2,1-8H3/t22-,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+,52-,53-,54+,57-,58+,59+,60-/m0/s1
InChIKey KWXGVIWUSUVMNJ-RJETUZQMSA-N
Mol Weight 1283.4 g/mol
Molecular Formula C60H98O29
Exact Mass 1282.619378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoD2bRunwT1
Name #1;SORBIFOLIASIDE-G;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-SANICULAGENIN-C-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->6)
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H98O29
InChI InChI=1S/C60H98O29/c1-22-33(64)38(69)45(76)52(83-22)89-47-42(73)37(68)28(20-81-51-44(75)40(71)35(66)26(18-62)85-51)87-54(47)82-21-60-24(15-55(2,3)48(78)49(60)79)23-9-10-30-57(6)13-12-32(56(4,5)29(57)11-14-58(30,7)59(23,8)16-31(60)63)88-53-46(77)41(72)36(67)27(86-53)19-80-50-43(74)39(70)34(65)25(17-61)84-50/h9,22,24-30,32-54,61-62,64-79H,10-21H2,1-8H3/t22-,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+,52-,53-,54+,57-,58+,59+,60-/m0/s1
InChIKey KWXGVIWUSUVMNJ-RJETUZQMSA-N
Literature Reference Author L.YU,X.TANG,L.CHEN,M.WANG,J.JIAN,S.CAO,X.WANG,N.KANG,F.QIU
Literature Reference Citation FITOTERAPIA,83,1636(2012)
Literature Reference DOI 10.1016/j.fitote.2012.09.015
Molecular Weight 1283.421 g/mol
Sample ID 72119
Solvent C5D5N
SpectraBase Batch ID CqbKSnT82ry