Spektraris NMR
Apigenin-4'-O-(2''-O-p-coumaroyl)-Beta-D-glucopyranoside
Common Name: Apigenin-4'-O-(2''-O-p-coumaroyl)-Beta-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)30(41-24)39-19-8-4-16(5-9-19)22-13-21(35)26-20(34)11-18(33)12-23(26)40-22/h1-13,24,27-34,37-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=FITSQGVBTPBMCU-ZZSHFKPLSA-N
Formula: C30H26O12
Molecular Weight: 578.521396
Exact Mass: 578.142426
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Jiao, R.H., Ge, H.M., Shi da, H., Tan, R.X. J Nat Prod (2006) 69, 1089-91
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) | 164.2 |
| 3 (CH) | 105 |
| 4 (C) | 182.7 |
| 5 (C) | 158.7 |
| 6 (CH) | 94.7 |
| 7 (C) | 164.8 |
| 8 (CH) | 99.6 |
| 9 (C) | 163.2 |
| 10 (C) | 105.2 |
| 1' (C) | 126 |
| 2' (CH) | 128.9 |
| 3' (CH) | 117.6 |
| 4' (C) | 161 |
| 5' (CH) | 117.6 |
| 6' (CH) | 128.9 |
| 1'' (CH) | 99.4 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 75.6 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.2 |
| 1''' (C) | 166.5 |
| 2''' (CH) | 115.2 |
| 3''' (CH) | 145.8 |
| 4''' (C) | 126.8 |
| 5''' (CH) | 130.9 |
| 6''' (CH) | 116.5 |
| 7''' (C) | 160.5 |
| 8''' (CH) | 116.5 |
| 9''' (CH) | 130.9 |
