Spektraris NMR
Isorhamnetin 3-O-(6''-O-E-caffeoyl)-β-D-galactopyranoside
Common Name: Isorhamnetin 3-O-(6''-O-E-caffeoyl)-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H28O15/c1-42-20-9-14(4-6-17(20)34)29-30(26(39)24-19(36)10-15(32)11-21(24)44-29)46-31-28(41)27(40)25(38)22(45-31)12-43-23(37)7-3-13-2-5-16(33)18(35)8-13/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3/b7-3+/t22-,25+,27+,28-,31+/m1/s1
InChIKey: InChIKey=WSOXPMMZVRFANO-OVIBHWRASA-N
Formula: C31H28O15
Molecular Weight: 640.546228
Exact Mass: 640.14282
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calzada, F., Cedillo-Rivera, R., Mata, R. J Nat Prod (2001) 64, 671-3
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) | 157.3 |
| 3 (C) | 133.7 |
| 4 (C) | 177.7 |
| 5 (C) | 161.4 |
| 6 (CH) | 99.2 |
| 7 (C) | 166.3 |
| 8 (CH) | 93.9 |
| 9 (C) | 157 |
| 10 (C) | 103.7 |
| 1' (C) | 121.5 |
| 2' (CH) | 113 |
| 3' (C) | 146.9 |
| 4' (C) | 149.4 |
| 5' (CH) | 112.8 |
| 6' (CH) | 122.5 |
| 1'' (CH) | 102.7 |
| 2'' (CH) | 74.4 |
| 3'' (CH) | 74.4 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 62.8 |
| 1''' (C) | 167.5 |
| 2''' (CH) | 113.7 |
| 3''' (CH) | 145.7 |
| 4''' (C) | 126.2 |
| 5''' (CH) | 113 |
| 6''' (C) | 145.3 |
| 7''' (C) | 148.2 |
| 8''' (CH) | 115.1 |
| 9''' (CH) | 121.8 |
| 3'a (CH3) | 55.2 |
