Spektraris NMR
Myricetin 3-O-b-glucosyl-(1'''-->2'')-glucoside-4'-O-b-glucoside
Common Name: Myricetin 3-O-b-glucosyl-(1'''-->2'')-glucoside-4'-O-b-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O23/c34-5-14-18(41)22(45)25(48)31(51-14)54-28-11(39)1-8(2-12(28)40)27-29(21(44)17-10(38)3-9(37)4-13(17)50-27)55-33-30(24(47)20(43)16(7-36)53-33)56-32-26(49)23(46)19(42)15(6-35)52-32/h1-4,14-16,18-20,22-26,30-43,45-49H,5-7H2/t14-,15-,16-,18-,19-,20-,22+,23+,24+,25-,26-,30-,31+,32+,33+/m1/s1
InChIKey: InChIKey=XTBIWEFWJKCNPZ-IHKBIZNVSA-N
Formula: C33H40O23
Molecular Weight: 804.658228
Exact Mass: 804.196038
NMR Solvent: 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) | 156.2 |
| 3 (C) | 134 |
| 4 (C) | 177.1 |
| 5 (C) | 162.9 |
| 6 (CH) | 99.9 |
| 7 (C) | 164.6 |
| 8 (CH) | 94.7 |
| 9 (C) | 158 |
| 10 (C) | 105.5 |
| 1' (C) | 121.8 |
| 2' (CH) | 108.5 |
| 3' (C) | 145 |
| 4' (C) | 139.3 |
| 5' (C) | 146 |
| 6' (CH) | 108 |
| 1'' (CH) | 103.8 |
| 2'' (CH) | 83.2 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62.4 |
| 1''' (CH) | 100 |
| 2''' (CH) | 75.8 |
| 3''' (CH) | 76.9 |
| 4''' (CH) | 69.9 |
| 5''' (CH) | 77.1 |
| 6''' (CH2) | 61.2 |
| 1'''' (CH) | 102.1 |
| 2'''' (CH) | 74.4 |
| 3'''' (CH) | 76.6 |
| 4'''' (CH) | 70.2 |
| 5'''' (CH) | 77.4 |
| 6'''' (CH2) | 60.9 |
