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ILEXOSIDE-XXXIV;28-O-BETA-D-GLUCOPYRANOSYL-ROTUNDIC-ACID-3-SULPHATE-ESTER
SpectraBase Compound ID 6ReNhKRvQgL
InChI InChI=1S/C36H58O13S.Na/c1-19-9-14-36(30(42)48-29-27(41)26(40)25(39)21(17-37)47-29)16-15-33(4)20(28(36)35(19,6)43)7-8-23-31(2)12-11-24(49-50(44,45)46)32(3,18-38)22(31)10-13-34(23,33)5;/h7,19,21-29,37-41,43H,8-18H2,1-6H3,(H,44,45,46);/q;+1/p-1/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+;/m1./s1
InChIKey IGJXSSYBFDJRMD-RPVUGVGJSA-M
Mol Weight 752.9 g/mol
Molecular Formula C36H57NaO13S
Exact Mass 752.341757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rb7A2GrSvh
Name ILEXOSIDE-XXXIV;28-O-BETA-D-GLUCOPYRANOSYL-ROTUNDIC-ACID-3-SULPHATE-ESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H57NaO13S
InChI InChI=1S/C36H58O13S.Na/c1-19-9-14-36(30(42)48-29-27(41)26(40)25(39)21(17-37)47-29)16-15-33(4)20(28(36)35(19,6)43)7-8-23-31(2)12-11-24(49-50(44,45)46)32(3,18-38)22(31)10-13-34(23,33)5;/h7,19,21-29,37-41,43H,8-18H2,1-6H3,(H,44,45,46);/q;+1/p-1/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+;/m1./s1
InChIKey IGJXSSYBFDJRMD-RPVUGVGJSA-M
Literature Reference Author K.AMIMOTO,K.YOSHIKAWA,S.ARIHARA
Literature Reference Citation PHYTOCHEM.,33,1475(1993)
Literature Reference DOI 10.1016/0031-9422(93)85114-7
Molecular Weight 752.891 g/mol
Solvent PYRIDINE-D5