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KAEMPFEROL-3-O-BETA-D-[2E-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE]
SpectraBase Compound ID LgmdiiDOCBA
InChI InChI=1S/C48H56O29/c49-12-24-30(58)34(62)38(66)46(70-24)75-41-27(15-52)73-45(39(67)37(41)65)68-19-10-22(56)29-23(11-19)69-40(17-3-5-18(53)6-4-17)42(33(29)61)76-48-44(36(64)32(60)26(14-51)72-48)77-47-43(35(63)31(59)25(13-50)71-47)74-28(57)8-2-16-1-7-20(54)21(55)9-16/h1-11,24-27,30-32,34-39,41,43-56,58-60,62-67H,12-15H2/b8-2+/t24-,25-,26-,27+,30-,31-,32-,34+,35+,36+,37+,38-,39+,41+,43-,44-,45+,46+,47+,48+/m1/s1
InChIKey CZBTUCJIUINASC-JDSAUASJSA-N
Mol Weight 1096.9 g/mol
Molecular Formula C48H56O29
Exact Mass 1096.290726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLdSHuNKdzC
Name KAEMPFEROL-3-O-BETA-D-[2E-CAFFEOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H56O29
InChI InChI=1S/C48H56O29/c49-12-24-30(58)34(62)38(66)46(70-24)75-41-27(15-52)73-45(39(67)37(41)65)68-19-10-22(56)29-23(11-19)69-40(17-3-5-18(53)6-4-17)42(33(29)61)76-48-44(36(64)32(60)26(14-51)72-48)77-47-43(35(63)31(59)25(13-50)71-47)74-28(57)8-2-16-1-7-20(54)21(55)9-16/h1-11,24-27,30-32,34-39,41,43-56,58-60,62-67H,12-15H2/b8-2+/t24-,25-,26-,27+,30-,31-,32-,34+,35+,36+,37+,38-,39+,41+,43-,44-,45+,46+,47+,48+/m1/s1
InChIKey CZBTUCJIUINASC-JDSAUASJSA-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 1096.955 g/mol
Solvent DMSO-D6
Source File Reference UWLU962