Spektraris NMR
Myricetin 3-O-(2'',3''-di-O-galloyl)-α-rhamnopyranoside
Common Name: Myricetin 3-O-(2'',3''-di-O-galloyl)-α-rhamnopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H28O17/c1-13-25(42)30(50-34(47)16-9-21(40)27(44)22(41)10-16)32(51-33(46)14-5-3-2-4-6-14)35(48-13)52-31-28(45)24-18(37)11-17(36)12-23(24)49-29(31)15-7-19(38)26(43)20(39)8-15/h2-13,25,30,32,35-44H,1H3/t13-,25-,30+,32+,35-/m0/s1
InChIKey: InChIKey=LTEBWCRKJSPFIG-UIGWTFPBSA-N
Formula: C35H28O17
Molecular Weight: 720.587981
Exact Mass: 720.132649
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, T.H., Qiu, F., Waller, G.R., Chou, C.H. J Nat Prod (2000) 63, 710-2
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) | 135.8 |
| 4 (C) | 179.3 |
| 5 (C) | 163.2 |
| 6 (CH) | 99.9 |
| 7 (C) | 166.1 |
| 8 (CH) | 94.8 |
| 9 (C) | 158.5 |
| 10 (C) | 105.8 |
| 1' (C) | 121.8 |
| 2' (CH) | 109.5 |
| 3' (C) | 146.5 |
| 4' (C) | 138 |
| 5' (C) | 146.5 |
| 6' (CH) | 109.5 |
| 1'' (CH) | 100.7 |
| 2'' (CH) | 71.1 |
| 3'' (CH) | 73.5 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 72.4 |
| 6'' (CH3) | 17.8 |
| 1''' (C) | 166.8 |
| 2''' (C) | 120.8 |
| 3''' (CH) | 110.3 |
| 4''' (CH) | 146.3 |
| 5''' (CH) | 140.2 |
| 6''' (CH) | 146.3 |
| 7''' (CH) | 110.3 |
| 1'''' (C) | 168.1 |
| 2'''' (C) | 121.2 |
| 3'''' (CH) | 110.4 |
| 4'''' (C) | 147 |
| 5'''' (C) | 140 |
| 6'''' (C) | 147 |
| 7'''' (CH) | 110.4 |
