4'-O-[2'-O-E-Feruloyl-β-D-glucuronopyranosyl-(1-->2)-O-β-D-glucuronopyranoside]apigenin

4'-O-[2'-O-E-Feruloyl-β-D-glucuronopyranosyl-(1-->2)-O-β-D-glucuronopyranoside]apigenin

Common Name: 4'-O-[2'-O-E-Feruloyl-β-D-glucuronopyranosyl-(1-->2)-O-β-D-glucuronopyranoside]apigenin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m0/s1

InChIKey: InChIKey=LNCLTICCQWMCNS-OJBICJBZSA-N

Formula: C37H34O20

Molecular Weight: 798.655312

Exact Mass: 798.164344

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Stochmal, A., Simonet, A.M., Macias, F.A., Oliveira, M.A., Abreu, J.M., Nash, R., Oleszek, W. Phytochemistry (2001) 57, 1223-6

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) 166.1
3 (CH) 104.8
4 (C) 183.9
5 (C) 163.2
6 (CH) 100.2
7 (C) 165.5
8 (CH) 95.1
9 (C) 159.4
10 (C) 105.4
1' (C) 126.1
2' (CH) 129.1
3' (CH) 117.9
4' (C) 161.3
5' (CH) 117.9
6' (CH) 129.1
1'' (CH) 99.7
2'' (CH) 82.9
3'' (CH) 76.5
4'' (CH) 72.8
5'' (CH) 76.1
6'' (C) 172.5
1''' (CH) 102.7
2''' (CH) 75.2
3''' (CH) 75.9
4''' (CH) 73.4
5''' (CH) 75.9
6''' (C) 172.5
1'''' (C) 168.7
2'''' (CH) 115.7
3'''' (CH) 147
4'''' (C) 127.8
5'''' (CH) 111.7
6'''' (C) 149.3
7'''' (C) 150.5
8'''' (CH) 116.4
9'''' (CH) 124.2
6''''a (CH3) 56.4