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KAEMPFEROL-3-O-[2''''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->4)-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 43VZonQzxnU
InChI InChI=1S/C55H60O29/c1-72-29-13-22(14-30(73-2)39(29)63)5-11-36(61)76-21-35-49(82-54-51(44(68)41(65)33(19-56)78-54)81-37(62)12-6-23-15-31(74-3)40(64)32(16-23)75-4)46(70)47(71)53(80-35)84-52-45(69)42(66)34(20-57)79-55(52)83-50-43(67)38-27(60)17-26(59)18-28(38)77-48(50)24-7-9-25(58)10-8-24/h5-18,33-35,41-42,44-47,49,51-60,63-66,68-71H,19-21H2,1-4H3/b11-5+,12-6-/t33-,34+,35+,41-,42-,44+,45-,46+,47+,49+,51-,52+,53-,54+,55-/m0/s1
InChIKey ZPWIQRPHNUHHCS-NQMOVWAVSA-N
Mol Weight 1185.1 g/mol
Molecular Formula C55H60O29
Exact Mass 1184.322026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AK5I6hMwseL
Name KAEMPFEROL-3-O-[2''''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->4)-[6'''-O-SINAPOYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-BETA-D-GALACTOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H60O29
InChI InChI=1S/C55H60O29/c1-72-29-13-22(14-30(73-2)39(29)63)5-11-36(61)76-21-35-49(82-54-51(44(68)41(65)33(19-56)78-54)81-37(62)12-6-23-15-31(74-3)40(64)32(16-23)75-4)46(70)47(71)53(80-35)84-52-45(69)42(66)34(20-57)79-55(52)83-50-43(67)38-27(60)17-26(59)18-28(38)77-48(50)24-7-9-25(58)10-8-24/h5-18,33-35,41-42,44-47,49,51-60,63-66,68-71H,19-21H2,1-4H3/b11-5+,12-6-/t33-,34+,35+,41-,42-,44+,45-,46+,47+,49+,51-,52+,53-,54+,55-/m0/s1
InChIKey ZPWIQRPHNUHHCS-NQMOVWAVSA-N
Literature Reference Author F.ABE,Y.IWASE,T.YAMAUCHI,S.YAHARA,T.NOHARA
Literature Reference Citation PHYTOCHEM.,40,577(1995)
Literature Reference DOI 10.1016/0031-9422(95)00316-Y
Molecular Weight 1185.064 g/mol
Solvent C5D5N
Source File Reference UWVN3619