Isovitexin 2''-O-[6-O-[(E)-p-coumaroyl]glucoside]

Isovitexin 2''-O-[6-O-[(E)-p-coumaroyl]glucoside]

Common Name: Isovitexin 2''-O-[6-O-[(E)-p-coumaroyl]glucoside]

Synonyms: Isovitexin 2''-O-[6-O-[(E)-p-coumaroyl]glucoside]

CAS Registry Number:

InChI: InChI=1S/C36H36O17/c37-13-23-28(43)32(47)35(53-36-33(48)31(46)29(44)24(52-36)14-49-25(42)10-3-15-1-6-17(38)7-2-15)34(51-23)27-20(41)12-22-26(30(27)45)19(40)11-21(50-22)16-4-8-18(39)9-5-16/h1-12,23-24,28-29,31-39,41,43-48H,13-14H2/b10-3+/t23-,24-,28-,29-,31+,32+,33-,34+,35-,36+/m1/s1

InChIKey: InChIKey=RECLDAGWBWVMCW-FLVHHGMVSA-N

Formula: C36H36O17

Molecular Weight: 740.662243

Exact Mass: 740.19525

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Abou-Zaid M.M., Lombardo D.A., Kite G.C., Grayer R.J., Veitch N.C. Phytochemistry (2001) 58, 167-72

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) 163.5
3 (CH) 102.8
4 (C) 181.7
5 (C) 160.5
6 (C) 107.9
7 (C) 163.3
8 (CH) 93.5
9 (C) 156.4
10 (C) 103.2
1' (C) 121.4
2' (CH) 128.2
3' (CH) 115.7
4' (C) 160.7
5' (CH) 115.7
6' (CH) 128.2
1'' (CH) 71.2
2'' (CH) 80.8
3'' (CH) 78.4
4'' (CH) 70.1
5'' (CH) 81.3
6'' (CH2) 61.2
1''' (CH) 105.2
2''' (CH) 74.3
3''' (CH) 76.2
4''' (CH) 69
5''' (CH) 73.4
6''' (CH2) 62.4
6'''a (C) 166.1
6'''b (CH) 113.8
6'''c (CH) 144.1
6'''d (C) 125.1
6'''e (CH) 129.9
6'''f (CH) 115.6
6'''g (C) 159.4
6'''h (CH) 115.6
6'''i (CH) 129.9