Spektraris NMR
Myricetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside
Common Name: Myricetin 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O22/c1-8-18(39)25(46)30(55-32-27(48)24(45)21(42)16(7-35)53-32)33(49-8)54-29-22(43)17-11(36)4-10(50-31-26(47)23(44)20(41)15(6-34)52-31)5-14(17)51-28(29)9-2-12(37)19(40)13(38)3-9/h2-5,8,15-16,18,20-21,23-27,30-42,44-48H,6-7H2,1H3/t8-,15+,16+,18-,20+,21+,23-,24-,25+,26+,27+,30+,31+,32-,33-/m0/s1
InChIKey: InChIKey=AGCJXRMKEHRGIH-YBAQHRTESA-N
Formula: C33H40O22
Molecular Weight: 788.658823
Exact Mass: 788.201123
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Nielsen, J.K., Kondo, T. Phytochemistry (1999) 51, 1139-46
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) | 156.9 |
| 3 (C) | 138.9 |
| 4 (C) | 178.9 |
| 5 (C) | 162.3 |
| 6 (CH) | 100.2 |
| 7 (C) | 163.8 |
| 8 (CH) | 95.1 |
| 9 (C) | 156.9 |
| 10 (C) | 107.9 |
| 1' (C) | 120.9 |
| 2' (CH) | 109.4 |
| 3' (C) | 162.1 |
| 4' (C) | 158.8 |
| 5' (C) | 162.1 |
| 6' (CH) | 109.4 |
| 1'' (CH) | 102.8 |
| 2'' (CH) | 82.9 |
| 3'' (CH) | 72.2 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 73.7 |
| 6'' (CH3) | 18.2 |
| 1''' (CH) | 106.8 |
| 2''' (CH) | 75.7 |
| 3''' (CH) | 78.3 |
| 4''' (CH) | 70.9 |
| 5''' (CH) | 79.1 |
| 6''' (CH2) | 62.3 |
| 1'''' (CH) | 101.6 |
| 2'''' (CH) | 74.6 |
| 3'''' (CH) | 78.2 |
| 4'''' (CH) | 70.7 |
| 5'''' (CH) | 78.4 |
| 6'''' (CH2) | 62.2 |
