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#10;GITOGENIN-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT
SpectraBase Compound ID 38vwq1XkWu8
InChI InChI=1S/C56H92O27/c1-20-8-11-56(73-18-20)21(2)34-30(83-56)13-26-24-7-6-23-12-29(27(60)14-55(23,5)25(24)9-10-54(26,34)4)75-51-43(70)40(67)45(33(17-59)78-51)79-53-48(47(38(65)32(16-58)77-53)81-49-41(68)36(63)28(61)19-72-49)82-52-44(71)46(37(64)31(15-57)76-52)80-50-42(69)39(66)35(62)22(3)74-50/h20-53,57-71H,6-19H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-/m1/s1
InChIKey FOHQXMGSJUQURZ-VNYLRHEISA-N
Mol Weight 1197.3 g/mol
Molecular Formula C56H92O27
Exact Mass 1196.582598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXcWbnWapjr
Name #10;GITOGENIN-3-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H92O27
InChI InChI=1S/C56H92O27/c1-20-8-11-56(73-18-20)21(2)34-30(83-56)13-26-24-7-6-23-12-29(27(60)14-55(23,5)25(24)9-10-54(26,34)4)75-51-43(70)40(67)45(33(17-59)78-51)79-53-48(47(38(65)32(16-58)77-53)81-49-41(68)36(63)28(61)19-72-49)82-52-44(71)46(37(64)31(15-57)76-52)80-50-42(69)39(66)35(62)22(3)74-50/h20-53,57-71H,6-19H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56-/m1/s1
InChIKey FOHQXMGSJUQURZ-VNYLRHEISA-N
Literature Reference Author Y.MIMAKI,O.NAKAMURA,Y.SASHIDA,T.NIKAIDO,T.OHMOTO
Literature Reference Citation PHYTOCHEM.,38,1279(1995)
Literature Reference DOI 10.1016/0031-9422(94)00790-Z
Molecular Weight 1197.330 g/mol
Solvent C5D5N
Source File Reference UWMS3974