Spektraris NMR
Myricetin 3-O-a-rhamnosyl (1'''-->2'')-a-rhamnoside-3'-O-a-rhamnoside
Common Name: Myricetin 3-O-a-rhamnosyl (1'''-->2'')-a-rhamnoside-3'-O-a-rhamnoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O20/c1-8-18(37)23(42)26(45)31(47-8)51-16-5-11(4-14(36)21(16)40)28-29(22(41)17-13(35)6-12(34)7-15(17)50-28)52-33-30(25(44)20(39)10(3)49-33)53-32-27(46)24(43)19(38)9(2)48-32/h4-10,18-20,23-27,30-40,42-46H,1-3H3/t8-,9-,10-,18-,19-,20-,23+,24+,25+,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey: InChIKey=LDNZVJJDWPMVLB-MGZIRBAFSA-N
Formula: C33H40O20
Molecular Weight: 756.660013
Exact Mass: 756.211294
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Wagai, S.O., Lemmen, P. Phytochemistry (2006) 67, 830-7
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) | 156.5 |
| 3 (C) | 133.6 |
| 4 (C) | 177.7 |
| 5 (C) | 161.5 |
| 6 (CH) | 98.8 |
| 7 (C) | 164.4 |
| 8 (CH) | 93.7 |
| 9 (C) | 156.6 |
| 10 (C) | 104 |
| 1' (C) | 122.2 |
| 2' (CH) | 107.1 |
| 3' (C) | 147 |
| 4' (C) | 137.8 |
| 5' (C) | 148.7 |
| 6' (CH) | 107.4 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 80.4 |
| 3'' (CH) | 70.3 |
| 4'' (CH) | 67.9 |
| 5'' (CH) | 72.1 |
| 6'' (CH3) | 17.7 |
| 1''' (CH) | 98.3 |
| 2''' (CH) | 70.4 |
| 3''' (CH) | 70.6 |
| 4''' (CH) | 72.1 |
| 5''' (CH) | 68.1 |
| 6''' (CH3) | 17.6 |
| 1'''' (CH) | 100.8 |
| 2'''' (CH) | 70 |
| 3'''' (CH) | 70.3 |
| 4'''' (CH) | 71.6 |
| 5'''' (CH) | 68.3 |
| 6'''' (CH3) | 17.5 |
