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CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-[6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE]

Compound with spectra: 1 NMR

CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-[6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE]
SpectraBase Compound ID Blk8s8YCT2X
InChI InChI=1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p+1/t24-,28-,29-,33+,34-,35-,36+,37+,38-,39-,41-,42+,43-,44-/m0/s1
InChIKey JKGXHHXZZLNEGD-WPCDPEITSA-O
Mol Weight 975.8 g/mol
Molecular Formula C44H47O25
Exact Mass 975.240642 g/mol
Enantiomer InChIKey JKGXHHXZZLNEGD-XINMMMEUSA-O

View Spectrum of CYANIDIN-3-O-[2-O-(BETA-D-XYLOPYRANOSYL)-6-O-(TRANS-PARA-COUMAROYL)-BETA-D-GLUCOPYRANOSIDE]-5-O-[6-O-(MALONYL)-BETA-D-GLUCOPYRANOSIDE]

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6:CF3COOD=9:1
Title Journal or Book Year
Acylated cyanidin 3-sambubioside-5-glucosides in three garden plants of the Cruciferae Phytochemistry 2006
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