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NEOTIGOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Akegn3DSZWF
InChI InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3/t19-,20+,21+,22+,23?,24?,25+,26+,27?,28+,29-,30?,31+,32+,33-,34-,35-,36+,37-,38?,39+,40-,41-,42+,43+,44-/m1/s1
InChIKey ZUIQPSIQYROGAZ-VVGQOFJUSA-N
Mol Weight 873.0 g/mol
Molecular Formula C44H72O17
Exact Mass 872.476951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7MLhgFsBaf
Name NEOTIGOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H72O17
InChI InChI=1S/C44H72O17/c1-19-7-12-44(56-16-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)57-40-37(53)34(50)38(60-41-36(52)33(49)32(48)28(15-45)58-41)29(59-40)18-55-39-35(51)31(47)26(46)17-54-39/h19-41,45-53H,5-18H2,1-4H3/t19-,20+,21+,22+,23?,24?,25+,26+,27?,28+,29-,30?,31+,32+,33-,34-,35-,36+,37-,38?,39+,40-,41-,42+,43+,44-/m1/s1
InChIKey ZUIQPSIQYROGAZ-VVGQOFJUSA-N
Literature Reference Author R.R.BERNARDO,A.V.PINTO,J.P.PARENTE
Literature Reference Citation PHYTOCHEM.,43,465(1996)
Literature Reference DOI 10.1016/0031-9422(96)00274-9
Molecular Weight 873.045 g/mol
Solvent C5D5N
Source File Reference UWMS2024