Spektraris NMR
isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside-4'-O-glucoside
Common Name: isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside-4'-O-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H46O20/c43-15-27-32(49)36(53)40(62-42-38(55)35(52)33(50)29(61-42)17-56-30(47)12-3-18-1-7-21(45)8-2-18)39(59-27)20-6-11-25-23(13-20)24(46)14-26(58-25)19-4-9-22(10-5-19)57-41-37(54)34(51)31(48)28(16-44)60-41/h1-14,27-29,31-45,48-55H,15-17H2/b12-3+/t27-,28-,29-,31-,32-,33-,34+,35+,36+,37-,38-,39+,40-,41-,42+/m1/s1
InChIKey: InChIKey=ZAYIGSOTOVYHRK-QXVQOGBHSA-N
Formula: C42H46O20
Molecular Weight: 870.804281
Exact Mass: 870.258244
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) | 162.7 |
| 3 (CH) | 103.7 |
| 4 (C) | 181.6 |
| 5 (CH) | 160.7 |
| 6 (C) | 108.1 |
| 7 (CH) | 164.1 |
| 8 (CH) | 93.4 |
| 9 (C) | 156.5 |
| 10 (C) | 103 |
| 1' (C) | 124.3 |
| 2' (CH) | 127.9 |
| 3' (CH) | 116.5 |
| 4' (C) | 160.1 |
| 5' (CH) | 116.5 |
| 6' (CH) | 127.9 |
| 1'' (CH) | 71.3 |
| 2'' (CH) | 80.6 |
| 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) | 76.3 |
| 4''' (CH) | 69 |
| 5''' (CH) | 73.4 |
| 6''' (CH2) | 62.4 |
| 1'''' (CH) | 100.2 |
| 2'''' (CH) | 73.1 |
| 3'''' (CH) | 76.4 |
| 4'''' (CH) | 69.7 |
| 5'''' (CH) | 77 |
| 6'''' (CH2) | 60.7 |
| 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) | 115.7 |
| 6''g (C) | 159.5 |
| 6''h (CH) | 115.7 |
| 6''i (CH) | 129.9 |
