#M5;CISTANOSIDE-B;2-(3-METHOXY-4-HYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-(4-O-E-FERULOYL)-BETA-D-GLUCOPYRANOSIDE

SpectraBase Compound ID	93ohyzy4GQM
InChI	InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-20(40)22(13-18)50-3)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)21(12-17)49-2/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24-,26-,27+,28+,29-,30+,31+,32-,33-,34-,35+,36-,37-/m0/s1
InChIKey	XSSFBGUVLPAGRS-WTCNTBSUSA-N Google Search
Mol Weight	814.8 g/mol
Molecular Formula	C37H50O20
Exact Mass	814.289544 g/mol

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SpectraBase Spectrum ID	HTnVrXpCIJl
Name	#M5;CISTANOSIDE-B;2-(3-METHOXY-4-HYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-(4-O-E-FERULOYL)-BETA-D-GLUCOPYRANOSIDE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C37H50O20
InChI	InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-20(40)22(13-18)50-3)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)21(12-17)49-2/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24-,26-,27+,28+,29-,30+,31+,32-,33-,34-,35+,36-,37-/m0/s1
InChIKey	XSSFBGUVLPAGRS-WTCNTBSUSA-N
Literature Reference Author	C.JIA,H.SHI,W.JIN,K.ZHANG,Y.JIANG,M.ZHAO,P.TU
Literature Reference Citation	DRUG.MET.DISP.,37,431(2009)
Literature Reference DOI	10.1124/dmd.108.023697
Molecular Weight	814.792 g/mol
Source File Reference	UWLU74092