Spektraris NMR
Scutellarein 4'-methylether 7-O-β-D-glucuronopyranoside
Common Name: Scutellarein 4'-methylether 7-O-β-D-glucuronopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O12/c1-31-9-4-2-8(3-5-9)11-6-10(23)14-12(32-11)7-13(15(24)16(14)25)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22,24-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1
InChIKey: InChIKey=COHYXLXOTCUVTQ-SXFAUFNYSA-N
Formula: C22H20O12
Molecular Weight: 476.387864
Exact Mass: 476.095476
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Grayer, R.J., Veitch, N.C., Kite, G.C., Paton, A.J., Garnock-Jones, P.J. Phytochemistry (2002) 60, 727-31
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) | 103.1 |
| 4 (C) | 182.3 |
| 5 (C) | 146.7 |
| 6 (C) | 130.7 |
| 7 (C) | 148.9 |
| 8 (CH) | 94.3 |
| 9 (C) | 151.5 |
| 10 (C) | 122.9 |
| 1' (C) | 105.9 |
| 2' (CH) | 128.2 |
| 3' (CH) | 114.6 |
| 4' (C) | 162.2 |
| 5' (CH) | 114.6 |
| 6' (CH) | 128.2 |
| 1'' (CH) | 100.9 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 75.8 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 74.2 |
| 6'' (C) | 171.3 |
| 4'a (CH3) | 55.5 |
