Spektraris NMR
Isorhamnetin 3-O-β-D-(6''-E-p-coumaroylglucopyranoside)-7-O-β-Dgucopyranoside
Common Name: Isorhamnetin 3-O-β-D-(6''-E-p-coumaroylglucopyranoside)-7-O-β-Dgucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H38O19/c1-50-21-10-16(5-8-19(21)40)34-35(29(45)26-20(41)11-18(12-22(26)53-34)52-36-32(48)30(46)27(43)23(13-38)54-36)56-37-33(49)31(47)28(44)24(55-37)14-51-25(42)9-4-15-2-6-17(39)7-3-15/h2-12,23-24,27-28,30-33,36-41,43-44,46-49H,13-14H2,1H3/b9-4+/t23-,24-,27-,28-,30+,31+,32-,33-,36-,37+/m1/s1
InChIKey: InChIKey=PDCXCJUQXPDCGB-NXVNACQTSA-N
Formula: C37H38O19
Molecular Weight: 786.68767
Exact Mass: 786.200729
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - el-Mousallami, A.M., Afifi, M.S., Hussein, S.A. Phytochemistry (2002) 60, 807-11
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) | 133.2 |
| 4 (C) | 177.5 |
| 5 (C) | 160.3 |
| 6 (CH) | 99.4 |
| 7 (C) | 162.9 |
| 8 (CH) | 94.5 |
| 9 (C) | 157 |
| 10 (C) | 105.8 |
| 1' (C) | 122.4 |
| 2' (CH) | 113.5 |
| 3' (C) | 149.6 |
| 4' (C) | 147 |
| 5' (CH) | 115.7 |
| 6' (CH) | 122 |
| 1'' (CH) | 106.8 |
| 2'' (CH) | 74.3 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 74.3 |
| 6'' (CH2) | 63.3 |
| 1''' (C) | 166 |
| 2''' (CH) | 116 |
| 3''' (CH) | 144.2 |
| 4''' (C) | 124.8 |
| 5''' (CH) | 130.2 |
| 6''' (CH) | 116 |
| 7''' (C) | 159.8 |
| 8''' (CH) | 116 |
| 9''' (CH) | 130.2 |
| 1'''' (CH) | 99.8 |
| 2'''' (CH) | 73.2 |
| 3'''' (CH) | 76.5 |
| 4'''' (CH) | 70 |
| 5'''' (CH) | 76.5 |
| 6'''' (CH2) | 60.5 |
| 3'a (CH3) | 55.8 |
