KAEMPFEROL-3-O-BETA-D-[2E-SINAPOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE]

SpectraBase Compound ID	3VN5zhPk2mH
InChI	InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)58)3-8-29(57)77-45-37(64)33(60)26(14-52)74-49(45)80-46-38(65)34(61)27(15-53)75-50(46)79-44-35(62)30-21(56)11-20(12-22(30)72-42(44)18-4-6-19(55)7-5-18)71-47-41(68)39(66)43(28(16-54)76-47)78-48-40(67)36(63)32(59)25(13-51)73-48/h3-12,25-28,32-34,36-41,43,45-56,58-61,63-68H,13-16H2,1-2H3/b8-3+/t25-,26-,27-,28+,32-,33-,34-,36+,37+,38+,39+,40-,41+,43+,45-,46-,47+,48+,49+,50+/m1/s1
InChIKey	XDAUDAFKKQNYME-DAJITYRQSA-N Google Search
Mol Weight	1141.0 g/mol
Molecular Formula	C50H60O30
Exact Mass	1140.316941 g/mol

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SpectraBase Spectrum ID	FBfLl50tmv8
Name	KAEMPFEROL-3-O-BETA-D-[2E-SINAPOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE]
Compound Number	6
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C50H60O30
InChI	InChI=1S/C50H60O30/c1-69-23-9-17(10-24(70-2)31(23)58)3-8-29(57)77-45-37(64)33(60)26(14-52)74-49(45)80-46-38(65)34(61)27(15-53)75-50(46)79-44-35(62)30-21(56)11-20(12-22(30)72-42(44)18-4-6-19(55)7-5-18)71-47-41(68)39(66)43(28(16-54)76-47)78-48-40(67)36(63)32(59)25(13-51)73-48/h3-12,25-28,32-34,36-41,43,45-56,58-61,63-68H,13-16H2,1-2H3/b8-3+/t25-,26-,27-,28+,32-,33-,34-,36+,37+,38+,39+,40-,41+,43+,45-,46-,47+,48+,49+,50+/m1/s1
InChIKey	XDAUDAFKKQNYME-DAJITYRQSA-N
Literature Reference Author	J.K.NIELSEN,R.NORBAEK,C.E.OLSEN
Literature Reference Citation	PHYTOCHEM.,49,2171(1998)
Literature Reference DOI	10.1016/S0031-9422(98)00422-1
Molecular Weight	1141.008 g/mol
Solvent	DMSO-D6
Source File Reference	UWLU960