Spektraris NMR
Myricetin -3-rutinoside
Common Name: Myricetin -3-rutinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14-,16-,18-,20+,21+,22+,23-,26+,27+/m1/s1
InChIKey: InChIKey=QCIILLDRJZPUDI-WFPAFUNVSA-N
Formula: C27H30O17
Molecular Weight: 626.517976
Exact Mass: 626.1483
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
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) | 159.4 |
| 3 (C) | 135.75 |
| 4 (C) | 179.42 |
| 5 (C) | 162.98 |
| 6 (CH) | 99.94 |
| 7 (C) | 166.01 |
| 8 (CH) | 94.82 |
| 9 (C) | 158.49 |
| 10 (C) | 105.63 |
| 1' (C) | 122.13 |
| 2' (CH) | 110.37 |
| 3' (C) | 146.35 |
| 4' (C) | 138.07 |
| 5' (C) | 146.35 |
| 6' (CH) | 110.37 |
| 1'' (CH) | 104.81 |
| 2'' (CH) | 75.67 |
| 3'' (CH) | 78.24 |
| 4'' (CH) | 71.38 |
| 5'' (CH) | 77.27 |
| 6'' (CH2) | 68.58 |
| 1''' (CH) | 102.44 |
| 2''' (CH) | 72.13 |
| 3''' (CH) | 72.21 |
| 4''' (CH) | 73.98 |
| 5''' (CH) | 69.71 |
| 6''' (CH3) | 17.84 |
