Spektraris NMR
7-O-β-D-Glucuronopyranosyl-4'-O-[2'-O-E-feruloyl-O-β-D-glucuronopyranosyl (1-->2)-O-β-D-glucuronopyranoside]apigenin
![7-O-β-D-Glucuronopyranosyl-4'-O-[2'-O-E-feruloyl-O-β-D-glucuronopyranosyl (1-->2)-O-β-D-glucuronopyranoside]apigenin](/nmr/static/nmr/svg/11814.svg)
Common Name: 7-O-β-D-Glucuronopyranosyl-4'-O-[2'-O-E-feruloyl-O-β-D-glucuronopyranosyl (1-->2)-O-β-D-glucuronopyranoside]apigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)62-16-6-4-15(5-7-16)21-13-20(46)25-19(45)11-17(12-23(25)64-21)63-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36+,37+,41+,42+,43-/m0/s1
InChIKey: InChIKey=JLNNCTXIJCCWSU-SDKIOBCHSA-N
Formula: C43H42O26
Molecular Weight: 974.779683
Exact Mass: 974.196432
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) | 165.9 |
| 3 (CH) | 104.9 |
| 4 (C) | 184 |
| 5 (C) | 162.9 |
| 6 (CH) | 101.3 |
| 7 (C) | 164.5 |
| 8 (CH) | 96 |
| 9 (C) | 158.9 |
| 10 (C) | 107.3 |
| 1' (C) | 125.8 |
| 2' (CH) | 129.2 |
| 3' (CH) | 117.9 |
| 4' (C) | 161.4 |
| 5' (CH) | 117.9 |
| 6' (CH) | 129.2 |
| 1'' (CH) | 99.1 |
| 2'' (CH) | 82.6 |
| 3'' (CH) | 76.4 |
| 4'' (CH) | 72.9 |
| 5'' (CH) | 76.2 |
| 6'' (C) | 172.6 |
| 1''' (CH) | 101.6 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 75.9 |
| 4''' (CH) | 73.4 |
| 5''' (CH) | 75.9 |
| 6''' (C) | 172.6 |
| 1'''' (C) | 168.6 |
| 2'''' (CH) | 115.5 |
| 3'''' (CH) | 146.9 |
| 4'''' (C) | 127.8 |
| 5'''' (CH) | 111.6 |
| 6'''' (C) | 149.2 |
| 7'''' (C) | 150.6 |
| 8'''' (CH) | 116.4 |
| 9'''' (CH) | 124.2 |
| 1''''' (CH) | 101.3 |
| 2''''' (CH) | 74.4 |
| 3''''' (CH) | 77.3 |
| 4''''' (CH) | 73.1 |
| 5''''' (CH) | 76.6 |
| 6''''' (C) | 173 |
| 6''''a (CH3) | 56.4 |
