7-(beta-D-Glucopyranosyloxy)-3-[[2-O-[6-O-[3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-beta-L-arabinopyranosyl]oxy]-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one

7-(beta-D-Glucopyranosyloxy)-3-[[2-O-[6-O-[3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-beta-L-arabinopyranosyl]oxy]-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one

Common Name: 7-(beta-D-Glucopyranosyloxy)-3-[[2-O-[6-O-[3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-beta-L-arabinopyranosyl]oxy]-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one

Synonyms: 7-(beta-D-Glucopyranosyloxy)-3-[[2-O-[6-O-[3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-beta-L-arabinopyranosyl]oxy]-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C42H46O24/c1-58-23-8-15(2-5-19(23)45)3-7-27(49)59-14-26-31(52)34(55)36(57)41(64-26)66-39-29(50)22(48)13-60-42(39)65-38-32(53)28-21(47)10-17(61-40-35(56)33(54)30(51)25(12-43)63-40)11-24(28)62-37(38)16-4-6-18(44)20(46)9-16/h2-11,22,25-26,29-31,33-36,39-48,50-52,54-57H,12-14H2,1H3/b7-3+/t22-,25+,26+,29-,30+,31+,33-,34-,35+,36+,39+,40+,41-,42+/m0/s1

InChIKey: InChIKey=FRAGXEORXUIKAD-OSJBRCIOSA-N

Formula: C42H46O24

Molecular Weight: 934.801901

Exact Mass: 934.237902

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Abdel-Shafeek, K.A., El-Messiry, M.M., Shahat, A.A., Apers, S., Pieters, L., Seif-El Nasr, M.M. J Nat Prod (2000) 63, 845-7

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
2 (C) 156.7
3 (C) 134.5
4 (C) 177.7
5 (C) 160.9
6 (CH) 99.2
7 (C) 162.8
8 (CH) 94.4
9 (C) 155.8
10 (C) 105.6
1' (C) 120.4
2' (CH) 115.9
3' (C) 145.2
4' (C) 149.3
5' (CH) 115.5
6' (CH) 122.3
1'' (CH) 99
2'' (CH) 79.9
3'' (CH) 68.9
4'' (CH) 64.2
5'' (CH2) 61.4
1''' (CH) 104.4
2''' (CH) 73.7
3''' (CH) 76.5
4''' (CH) 69.6
5''' (CH) 73.8
6''' (CH2) 63.1
1'''' (C) 125.4
2'''' (CH) 111
3'''' (C) 147.8
4'''' (C) 149.3
5'''' (CH) 115.5
6'''' (CH) 122.8
7'''' (CH) 145
8'''' (CH) 114.1
9'''' (C) 166.4
1''''' (CH) 99.9
2''''' (CH) 73.2
3''''' (CH) 76.4
4''''' (CH) 69.8
5''''' (CH) 77.1
6''''' (CH2) 60.6
3''''a (CH3) 55.6