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

SpectraBase Compound ID	E3ae07qCp5p
InChI	InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-51-47(39(63)30(60)26-74-51)78-38(62)15-11-27-10-13-31(32(22-27)72-8)75-49-44(68)41(65)40(64)33(25-59)76-49)29(23-53)28-12-14-35-55(5)18-17-37(77-50-45(69)42(66)43(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)61/h10-13,15,22,29-30,33-37,39-47,49-51,59-61,63-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29?,30-,33+,34?,35?,36-,37+,39+,40+,41-,42+,43+,44+,45-,46+,47-,49+,50-,51+,55+,56-,57-,58-/m1/s1
InChIKey	FQDYAELZPDIZMA-POBKJDRISA-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	JHIQcOwG5S5
Name	TRAGOPOGONSAPONIN-D;3-O-BETA-[6-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[2-[3-(GLUCOPYRANOSYL-(1->4)-3-METHOXY-PHENYL)-PROPYONYLOXY]-
Compound Number	166
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)80-51-47(39(63)30(60)26-74-51)78-38(62)15-11-27-10-13-31(32(22-27)72-8)75-49-44(68)41(65)40(64)33(25-59)76-49)29(23-53)28-12-14-35-55(5)18-17-37(77-50-45(69)42(66)43(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)61/h10-13,15,22,29-30,33-37,39-47,49-51,59-61,63-69H,14,16-21,23-26H2,1-9H3/b15-11+/t29?,30-,33+,34?,35?,36-,37+,39+,40+,41-,42+,43+,44+,45-,46+,47-,49+,50-,51+,55+,56-,57-,58-/m1/s1
InChIKey	FQDYAELZPDIZMA-POBKJDRISA-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	UWVN1062