Spektraris NMR
3,4'-Di(alpha-L-rhamnopyranosyloxy)-3',5,5'-trihydroxy-7-methoxyflavone
Common Name: 3,4'-Di(alpha-L-rhamnopyranosyloxy)-3',5,5'-trihydroxy-7-methoxyflavone
Synonyms: 3,4'-Di(alpha-L-rhamnopyranosyloxy)-3',5,5'-trihydroxy-7-methoxyflavone
CAS Registry Number:
InChI: InChI=1S/C28H32O16/c1-8-17(32)20(35)22(37)27(40-8)43-25-13(30)4-10(5-14(25)31)24-26(44-28-23(38)21(36)18(33)9(2)41-28)19(34)16-12(29)6-11(39-3)7-15(16)42-24/h4-9,17-18,20-23,27-33,35-38H,1-3H3/t8-,9-,17-,18-,20+,21+,22+,23+,27-,28-/m0/s1
InChIKey: InChIKey=ROPSGBPJLGYBSZ-LZVVBHCVSA-N
Formula: C28H32O16
Molecular Weight: 624.545188
Exact Mass: 624.169035
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) | 158.5 |
| 3 (C) | 136.5 |
| 4 (C) | 179.3 |
| 5 (C) | 162.8 |
| 6 (CH) | 99.5 |
| 7 (C) | 165.6 |
| 8 (CH) | 94.4 |
| 9 (C) | 158.2 |
| 10 (C) | 105.56 |
| 1' (C) | 126.8 |
| 2' (CH) | 109.6 |
| 3' (C) | 151.9 |
| 4' (C) | 136 |
| 5' (C) | 151.9 |
| 6' (CH) | 109.6 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 73.4 |
| 3'' (CH) | 71.8 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 71 |
| 6'' (CH3) | 17.6 |
| 1''' (CH) | 102.7 |
| 2''' (CH) | 72.9 |
| 3''' (CH) | 71.7 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 70.6 |
| 6''' (CH3) | 17.4 |
| 7a (CH3) | 51.9 |
