TRAGOPOGONSAPONIN-J;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXY-3-METHOXY)-PHENYL]-PRO

SpectraBase Compound ID	IQh9TlYz6N3
InChI	InChI=1S/C58H86O22/c1-53(2)20-21-58(52(71)80-51-47(77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)45(31(61)26-74-51)78-49-43(68)40(65)39(64)33(25-59)75-49)29(23-53)28-12-14-35-55(5)18-17-37(76-50-44(69)41(66)42(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62/h10,12-13,22,29,31,33-37,39-47,49-51,59-62,64-69H,11,14-21,23-26H2,1-9H3/t29?,31-,33+,34?,35?,36+,37-,39+,40-,41-,42-,43+,44+,45-,46-,47+,49-,50+,51-,55-,56+,57+,58+/m0/s1
InChIKey	LRAMMUUZPBDTIW-WWQOJDINSA-N Google Search
Mol Weight	1135.3 g/mol
Molecular Formula	C58H86O22
Exact Mass	1134.561074 g/mol

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SpectraBase Spectrum ID	GTCHjiQHvIy
Name	TRAGOPOGONSAPONIN-J;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(4-HYDROXY-3-METHOXY)-PHENYL]-PRO
Compound Number	172
Copyright	Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C58H86O22
InChI	InChI=1S/C58H86O22/c1-53(2)20-21-58(52(71)80-51-47(77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)45(31(61)26-74-51)78-49-43(68)40(65)39(64)33(25-59)75-49)29(23-53)28-12-14-35-55(5)18-17-37(76-50-44(69)41(66)42(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62/h10,12-13,22,29,31,33-37,39-47,49-51,59-62,64-69H,11,14-21,23-26H2,1-9H3/t29?,31-,33+,34?,35?,36+,37-,39+,40-,41-,42-,43+,44+,45-,46-,47+,49-,50+,51-,55-,56+,57+,58+/m0/s1
InChIKey	LRAMMUUZPBDTIW-WWQOJDINSA-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	1135.308 g/mol
Solvent	C5D5N
Source File Reference	UWVN1068