Spektraris NMR
Scutellarein 4'-methylether 7-O-α-L-rhamnopyranosyl(1''-->6'')-β-D-glucopyranoside
Common Name: Scutellarein 4'-methylether 7-O-α-L-rhamnopyranosyl(1''-->6'')-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O15/c1-10-19(30)23(34)25(36)27(40-10)39-9-17-21(32)24(35)26(37)28(43-17)42-16-8-15-18(22(33)20(16)31)13(29)7-14(41-15)11-3-5-12(38-2)6-4-11/h3-8,10,17,19,21,23-28,30-37H,9H2,1-2H3/t10-,17+,19-,21+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=OKVABSGDPIQROZ-URRULLPYSA-N
Formula: C28H32O15
Molecular Weight: 608.545783
Exact Mass: 608.17412
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) | 103.3 |
| 4 (C) | 182.3 |
| 5 (C) | 146.7 |
| 6 (C) | 130.7 |
| 7 (C) | 148.9 |
| 8 (CH) | 94 |
| 9 (C) | 151.5 |
| 10 (C) | 122.9 |
| 1' (C) | 105.9 |
| 2' (CH) | 128.3 |
| 3' (CH) | 114.8 |
| 4' (C) | 162.2 |
| 5' (CH) | 114.8 |
| 6' (CH) | 128.3 |
| 1'' (CH) | 101 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 75.3 |
| 4'' (CH) | 69.5 |
| 5'' (CH) | 75.6 |
| 6'' (CH2) | 65.9 |
| 1''' (CH) | 100.3 |
| 2''' (CH) | 70.3 |
| 3''' (CH) | 70.6 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 68.1 |
| 6''' (CH3) | 55.2 |
| 4'a (CH3) | 17.4 |
