Spektraris NMR
Hispidulin 7-(6-E-p-coumaroyl-b-D-glucopyranoside)
Common Name: Hispidulin 7-(6-E-p-coumaroyl-b-D-glucopyranoside)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H28O13/c1-40-30-22(13-21-25(27(30)37)19(34)12-20(42-21)16-5-9-18(33)10-6-16)43-31-29(39)28(38)26(36)23(44-31)14-41-24(35)11-4-15-2-7-17(32)8-3-15/h2-13,23,26,28-29,31-33,36-39H,14H2,1H3/b11-4+/t23-,26-,28+,29-,31-/m1/s1
InChIKey: InChIKey=UOZVWIWAQMZYKF-KBVNLYGASA-N
Formula: C31H28O13
Molecular Weight: 608.547418
Exact Mass: 608.152991
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ho J.C., Chen C.M. Phytochemistry (2002) 61, 405-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 164.5 |
| 3 (CH) | 102.7 |
| 4 (C) | 182.4 |
| 5 (C) | 152.7 |
| 6 (C) | 132.6 |
| 7 (C) | 156.3 |
| 8 (CH) | 94.4 |
| 9 (C) | 152.2 |
| 10 (C) | 106 |
| 1' (C) | 121.2 |
| 2' (CH) | 126.6 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.5 |
| 5' (CH) | 115.9 |
| 6' (CH) | 126.6 |
| 1'' (CH) | 100.1 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 74.1 |
| 6'' (CH2) | 63.7 |
| 1''' (C) | 166.7 |
| 2''' (CH) | 113.7 |
| 3''' (CH) | 145.2 |
| 4''' (C) | 125 |
| 5''' (CH) | 130 |
| 6''' (CH) | 116.2 |
| 7''' (C) | 159.8 |
| 8''' (CH) | 116.2 |
| 9''' (CH) | 130 |
| 6a (CH3) | 60.6 |
