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(25S)-NEOGITOGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->2)-[BETA-XYLOPYRANOSYL-(1->3)]-BETA-GLUCOPYRANOSYL-(1->4)-BETA-GALACTOPYRANOSIDE
SpectraBase Compound ID A6rPn0elz2v
InChI InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,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-,45+,46+,47-,48-,49-,50+/m0/s1
InChIKey AULWDENWMBJIIQ-PLWJUBPJSA-N
Mol Weight 1051.2 g/mol
Molecular Formula C50H82O23
Exact Mass 1050.524689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HAlxtHmGtm
Name (25R)-F-GITONIN
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H82O23
InChI InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,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-,45+,46+,47-,48-,49-,50+/m0/s1
InChIKey AULWDENWMBJIIQ-PLWJUBPJSA-N
Literature Reference Author B.MA,B.WANG,J.DONG,X.YAN,H.ZHANG,A.TU
Literature Reference Citation PLANTA.MED.,63,376(1997)
Literature Reference DOI 10.1055/s-2006-957710
Molecular Weight 1051.187 g/mol
Solvent C5D5N
Source File Reference UIAP985