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TRAGOPOGONSAPONIN-B;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ESTER
SpectraBase Compound ID LJebM7my7Wk
InChI InChI=1S/C51H72O16/c1-46(2)21-22-51(45(61)67-44-41(36(56)30(53)25-63-44)65-35(55)16-11-26-9-12-27(52)13-10-26)29(23-46)28-14-15-32-48(5)19-18-34(64-43-39(59)37(57)38(58)40(66-43)42(60)62-8)47(3,4)31(48)17-20-49(32,6)50(28,7)24-33(51)54/h9-14,16,29-34,36-41,43-44,52-54,56-59H,15,17-25H2,1-8H3/b16-11+/t29?,30-,31?,32?,33-,34+,36+,37+,38+,39-,40+,41-,43-,44+,48+,49-,50-,51-/m1/s1
InChIKey RKIQDHTZALPOIX-ZRBGGJKPSA-N
Mol Weight 941.1 g/mol
Molecular Formula C51H72O16
Exact Mass 940.482036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZpGm52m1bU
Name TRAGOPOGONSAPONIN-B;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ESTER
Compound Number 164
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H72O16
InChI InChI=1S/C51H72O16/c1-46(2)21-22-51(45(61)67-44-41(36(56)30(53)25-63-44)65-35(55)16-11-26-9-12-27(52)13-10-26)29(23-46)28-14-15-32-48(5)19-18-34(64-43-39(59)37(57)38(58)40(66-43)42(60)62-8)47(3,4)31(48)17-20-49(32,6)50(28,7)24-33(51)54/h9-14,16,29-34,36-41,43-44,52-54,56-59H,15,17-25H2,1-8H3/b16-11+/t29?,30-,31?,32?,33-,34+,36+,37+,38+,39-,40+,41-,43-,44+,48+,49-,50-,51-/m1/s1
InChIKey RKIQDHTZALPOIX-ZRBGGJKPSA-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 941.123 g/mol
Solvent C5D5N
Source File Reference UWVN1060