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ALPHA-HEDERIN;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN
SpectraBase Compound ID BLeBu9G5nZE
InChI InChI=1S/2C41H66O12/c2*1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h2*8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t2*21-,23+,24-,25?,26?,27+,28-,29-,30+,31+,32+,33-,34-,37+,38+,39-,40-,41+/m11/s1
InChIKey JCOYBSXFTRLHGK-CHUSGZOZSA-N
Mol Weight 1501.9 g/mol
Molecular Formula C82H132O24
Exact Mass 1500.910855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYwPQA7GDlu
Name ALPHA-HEDERIN;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H132O24
InChI InChI=1S/2C41H66O12/c2*1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h2*8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t2*21-,23+,24-,25?,26?,27+,28-,29-,30+,31+,32+,33-,34-,37+,38+,39-,40-,41+/m11/s1
InChIKey JCOYBSXFTRLHGK-CHUSGZOZSA-N
Literature Reference Author C.LAVAUD,M.L.CRUBLET,I.POUNY,M.LITAUDON,T.SEVENET
Literature Reference Citation PHYTOCHEM.,57,469(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00063-2
Molecular Weight 1501.936 g/mol
Solvent CD3OD
Source File Reference UWVN2238