Spektraris NMR
Myricetin 3-O-(3''-O-galloyl)-α-rhamnopyranoside 7-methyl ether
Common Name: Myricetin 3-O-(3''-O-galloyl)-α-rhamnopyranoside 7-methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H26O16/c1-9-20(35)26(44-28(40)11-5-16(33)22(37)17(34)6-11)24(39)29(42-9)45-27-23(38)19-13(30)7-12(41-2)8-18(19)43-25(27)10-3-14(31)21(36)15(32)4-10/h3-9,20,24,26,29-37,39H,1-2H3/t9-,20-,24+,26+,29-/m0/s1
InChIKey: InChIKey=PSLHITKXAIEMKE-RAJHACLQSA-N
Formula: C29H26O16
Molecular Weight: 630.508279
Exact Mass: 630.122085
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) | 158.1 |
| 3 (C) | 135.1 |
| 4 (C) | 178 |
| 5 (C) | 161 |
| 6 (CH) | 97.9 |
| 7 (C) | 165.2 |
| 8 (CH) | 92.3 |
| 9 (C) | 156.4 |
| 10 (C) | 105 |
| 1' (C) | 119.5 |
| 2' (CH) | 108 |
| 3' (C) | 145.9 |
| 4' (C) | 136.7 |
| 5' (C) | 145.9 |
| 6' (CH) | 108 |
| 1'' (CH) | 102.7 |
| 2'' (CH) | 67.8 |
| 3'' (CH) | 73.8 |
| 4'' (CH) | 68.6 |
| 5'' (CH) | 71.1 |
| 6'' (CH3) | 17.5 |
| 1''' (C) | 165.7 |
| 2''' (C) | 120 |
| 3''' (CH) | 109 |
| 4''' (C) | 145.4 |
| 5''' (C) | 138.3 |
| 6''' (C) | 145.4 |
| 7''' (CH) | 109 |
| 7a (CH3) | 56.1 |
