TRAGOPOGONOSIDE-H;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[2-FERULOYLOXY-XYLOPYRANOSYL]-ESTER

SpectraBase Compound ID	6ogordaaXSH
InChI	InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-50-46(39(64)31(61)26-74-50)77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)29(23-53)28-12-14-35-55(5)18-17-37(54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62)76-51-47(43(68)42(67)45(78-51)48(70)73-9)79-49-44(69)41(66)40(65)33(25-59)75-49/h10-13,15,22,29,31,33-37,39-47,49-51,59-62,64-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29?,31-,33-,34?,35?,36-,37?,39+,40+,41+,42+,43+,44-,45+,46-,47-,49+,50+,51-,55+,56-,57-,58-/m1/s1
InChIKey	JJKQRNTVXYJWHQ-SQHSLNQHSA-N Google Search
Mol Weight	1133.3 g/mol
Molecular Formula	C58H84O22
Exact Mass	1132.545424 g/mol

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SpectraBase Spectrum ID	7xPaCklMGVB
Name	TRAGOPOGONOSIDE-H;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[2-FERULOYLOXY-XYLOPYRANOSYL]-ESTER
Compound Number	183
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C58H84O22
InChI	InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-50-46(39(64)31(61)26-74-50)77-38(63)15-11-27-10-13-30(60)32(22-27)72-8)29(23-53)28-12-14-35-55(5)18-17-37(54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)62)76-51-47(43(68)42(67)45(78-51)48(70)73-9)79-49-44(69)41(66)40(65)33(25-59)75-49/h10-13,15,22,29,31,33-37,39-47,49-51,59-62,64-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29?,31-,33-,34?,35?,36-,37?,39+,40+,41+,42+,43+,44-,45+,46-,47-,49+,50+,51-,55+,56-,57-,58-/m1/s1
InChIKey	JJKQRNTVXYJWHQ-SQHSLNQHSA-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	1133.292 g/mol
Solvent	C5D5N
Source File Reference	UWVN1079