Spektraris NMR
3,4'-Bis(alpha-L-rhamnopyranosyloxy)-3',5,5',7-tetrahydroxyflavone
Common Name: 3,4'-Bis(alpha-L-rhamnopyranosyloxy)-3',5,5',7-tetrahydroxyflavone
Synonyms: 3,4'-Bis(alpha-L-rhamnopyranosyloxy)-3',5,5',7-tetrahydroxyflavone
CAS Registry Number:
InChI: InChI=1S/C27H30O16/c1-7-16(32)19(35)21(37)26(39-7)42-24-12(30)3-9(4-13(24)31)23-25(43-27-22(38)20(36)17(33)8(2)40-27)18(34)15-11(29)5-10(28)6-14(15)41-23/h3-8,16-17,19-22,26-33,35-38H,1-2H3/t7-,8-,16-,17-,19+,20+,21+,22+,26-,27-/m0/s1
InChIKey: InChIKey=FILUBISJJZTQMB-FPBUOGHKSA-N
Formula: C27H30O16
Molecular Weight: 610.518571
Exact Mass: 610.153385
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Braca, A., De Tommasi, N., Mendez, J., Morelli, I., Pizza, C. Phytochemistry (1999) 51, 1121-4
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 158.6 |
| 3 (C) | 136.8 |
| 4 (C) | 179.5 |
| 5 (C) | 162.8 |
| 6 (CH) | 100.5 |
| 7 (C) | 167.7 |
| 8 (CH) | 95.1 |
| 9 (C) | 158.6 |
| 10 (C) | 105.6 |
| 1' (C) | 127.3 |
| 2' (CH) | 109.9 |
| 3' (C) | 152.3 |
| 4' (C) | 136.3 |
| 5' (C) | 152.3 |
| 6' (CH) | 109.9 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 73.8 |
| 3'' (CH) | 72.2 |
| 4'' (CH) | 72.1 |
| 5'' (CH) | 71.9 |
| 6'' (CH3) | 18 |
| 1''' (CH) | 103.1 |
| 2''' (CH) | 73.3 |
| 3''' (CH) | 72.1 |
| 4''' (CH) | 72 |
| 5''' (CH) | 71.3 |
| 6''' (CH3) | 17.8 |
