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NOBILISIDE_B;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-4-O-SODIUMSULFATE-BETA-D-XYLOPYRANOSYL]-22,25-EPOXYHOLOSTA-9-(11)-ENE-3-BETA,17-ALPHA-DIOL
SpectraBase Compound ID 3hwyP6eRzLN
InChI InChI=1S/C41H64O17S.Na/c1-35(2)13-11-26(56-35)39(7)41(48)17-16-38(6)21-8-9-24-36(3,4)25(12-14-37(24,5)20(21)10-15-40(38,41)34(47)57-39)54-33-31(28(44)23(19-52-33)58-59(49,50)51)55-32-30(46)29(45)27(43)22(18-42)53-32;/h10,21-33,42-46,48H,8-9,11-19H2,1-7H3,(H,49,50,51);/q;+1/p-1
InChIKey XROHLEKGLPHHKB-UHFFFAOYSA-M
Mol Weight 883.0 g/mol
Molecular Formula C41H63NaO17S
Exact Mass 882.368366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CC7pepiNYLE
Name NOBILISIDE_B;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-4-O-SODIUMSULFATE-BETA-D-XYLOPYRANOSYL]-22,25-EPOXYHOLOSTA-9-(11)-ENE-3-BETA,17-ALPHA-DIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H63NaO17S
InChI InChI=1S/C41H64O17S.Na/c1-35(2)13-11-26(56-35)39(7)41(48)17-16-38(6)21-8-9-24-36(3,4)25(12-14-37(24,5)20(21)10-15-40(38,41)34(47)57-39)54-33-31(28(44)23(19-52-33)58-59(49,50)51)55-32-30(46)29(45)27(43)22(18-42)53-32;/h10,21-33,42-46,48H,8-9,11-19H2,1-7H3,(H,49,50,51);/q;+1/p-1
InChIKey XROHLEKGLPHHKB-UHFFFAOYSA-M
Literature Reference Author J.WU,Y.H.YI,H.F.TANG,H.M.WU,Z.R.ZOU,H.W.LIN
Literature Reference Citation PLANTA.MED.,72,932(2006)
Literature Reference DOI 10.1055/s-2006-931603
Molecular Weight 882.991 g/mol
Solvent C5D5N:D2O=4:1
Source File Reference UWMZ47547