Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O6/c1-16(2)8-10-20-25(29)24-23(15-22-19(27(24)32-7)12-13-28(3,4)34-22)33-26(20)18-11-9-17(30-5)14-21(18)31-6/h8-9,11-15H,10H2,1-7H3
InChIKey: InChIKey=AHAHUIGQSCJWFV-UHFFFAOYSA-N
Formula: C28H30O6
Molecular Weight: 462.535257
Exact Mass: 462.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Messana, I., Ferrari, F., Dearaujo, M.D.M. Planta Med (1987) 53, 541-3
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) | 157.5 |
| 3 (C) | 123.2 |
| 4 (C) | 176.5 |
| 5 (C) | 157.9 |
| 6 (C) | 112.1 |
| 7 (C) | 162.4 |
| 8 (CH) | 98.8 |
| 9 (C) | 155.3 |
| 10 (C) | 112.6 |
| 1' (C) | 115.4 |
| 2' (C) | 158.4 |
| 3' (CH) | 100.5 |
| 4' (C) | 158.9 |
| 5' (CH) | 104.6 |
| 6' (CH) | 131.6 |
| 3a (CH2) | 24.7 |
| 3b (CH) | 122.3 |
| 3c (C) | 130.9 |
| 3d (CH3) | 25.5 |
| 3ac (CH3) | 17.5 |
| 5a (CH3) | 62.6 |
| 6a (CH) | 116.3 |
| 6b (CH) | 130.2 |
| 6c (C) | 77.2 |
| 6ac (CH3) | 28.1 |
| 6ad (CH3) | 28.1 |
| 2'a (CH3) | 55.4 |
| 4'a (CH3) | 55.4 |
