Spektraris NMR
Isomesuol
Common Name: Isomesuol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H24O5/c1-13(2)10-11-16-22(27)19-17(15-8-6-5-7-9-15)12-18(25)29-24(19)20(23(16)28)21(26)14(3)4/h5-10,12,14,27-28H,11H2,1-4H3
InChIKey: InChIKey=HFESPLMGUIFVMR-UHFFFAOYSA-N
Formula: C24H24O5
Molecular Weight: 392.445264
Exact Mass: 392.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reutrakul, V., Leewanich, P., Tuchinda, P., Pohmakotr, M., Jaipetch, T., Sophasan, S., Santisuk, T. Planta Med (2003) 69, 1048-51
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 158.65 |
| 3 (CH) | 112.08 |
| 4 (C) | 154.2 |
| 5 (C) | 100.49 |
| 6 (C) | 157.03 |
| 7 (C) | 112.7 |
| 8 (C) | 166.93 |
| 9 (C) | 103.72 |
| 10 (C) | 155.64 |
| 1' (C) | 136.85 |
| 2' (CH) | 127.49 |
| 3' (CH) | 129.53 |
| 4' (CH) | 130.13 |
| 5' (CH) | 129.53 |
| 6' (CH) | 127.49 |
| 6a (CH2) | 21.62 |
| 6b (CH) | 120.82 |
| 6c (C) | 134.03 |
| 6d (CH3) | 17.83 |
| 6e (CH3) | 25.69 |
| 8a (C) | 210.7 |
| 8b (CH) | 40.38 |
| 8c (CH3) | 19.29 |
| 8d (CH3) | 19.29 |
