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TRAGOPOGONOSIDE-D;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYLECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-XYLOPYRANOSYL]-ESTER
SpectraBase Compound ID 84QbYgzBcDG
InChI InChI=1S/C48H76O19/c1-43(2)15-16-48(42(60)67-39-35(58)36(23(50)20-62-39)65-40-33(56)30(53)29(52)24(19-49)63-40)22(17-43)21-9-10-26-45(5)13-12-28(64-41-34(57)31(54)32(55)37(66-41)38(59)61-8)44(3,4)25(45)11-14-46(26,6)47(21,7)18-27(48)51/h9,22-37,39-41,49-58H,10-20H2,1-8H3/t22?,23-,24-,25?,26?,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,39+,40+,41-,45+,46-,47-,48-/m1/s1
InChIKey MZENAIWFYUCRCF-OSSAUNDOSA-N
Mol Weight 957.1 g/mol
Molecular Formula C48H76O19
Exact Mass 956.49808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoilZRQXkMk
Name TRAGOPOGONOSIDE-D;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYLECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-XYLOPYRANOSYL]-ESTER
Compound Number 179
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O19
InChI InChI=1S/C48H76O19/c1-43(2)15-16-48(42(60)67-39-35(58)36(23(50)20-62-39)65-40-33(56)30(53)29(52)24(19-49)63-40)22(17-43)21-9-10-26-45(5)13-12-28(64-41-34(57)31(54)32(55)37(66-41)38(59)61-8)44(3,4)25(45)11-14-46(26,6)47(21,7)18-27(48)51/h9,22-37,39-41,49-58H,10-20H2,1-8H3/t22?,23-,24-,25?,26?,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,39+,40+,41-,45+,46-,47-,48-/m1/s1
InChIKey MZENAIWFYUCRCF-OSSAUNDOSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 957.120 g/mol
Solvent C5D5N
Source File Reference UWVN1075