Spektraris NMR
4,4'-Dimethoxyscandenin
Common Name: 4,4'-Dimethoxyscandenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O6/c1-16(2)8-13-19-23-20(14-15-28(3,4)34-23)25-22(24(19)31-6)26(32-7)21(27(29)33-25)17-9-11-18(30-5)12-10-17/h8-12,14-15H,13H2,1-7H3
InChIKey: InChIKey=PUMXKLYVALJKOZ-UHFFFAOYSA-N
Formula: C28H30O6
Molecular Weight: 462.535257
Exact Mass: 462.204239
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Raju, K.V.S., Srimannarayana, G., Ternai, B., Stanley, R., Markham, K.R. Tetrahedron (1981) 37, 957-62
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 3-Phenylcoumarins; 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) | 161.2 |
| 3 (C) | 112.1 |
| 4 (C) | 136.9 |
| 5 (C) | 154.9 |
| 6 (C) | 107.8 |
| 7 (C) | 153.9 |
| 8 (C) | 119.9 |
| 9 (C) | 147.4 |
| 10 (C) | 103.8 |
| 1' (C) | 124.1 |
| 2' (CH) | 131.7 |
| 3' (CH) | 113.3 |
| 4' (C) | 158.7 |
| 5' (CH) | 113.3 |
| 6' (CH) | 131.7 |
| 4a (CH3) | 60.8 |
| 5a (CH3) | 62.5 |
| 6a (CH2) | 21.8 |
| 6b (CH) | 122.4 |
| 6c (C) | 130.5 |
| 6d (CH3) | 25.2 |
| 6e (CH3) | 17.6 |
| 8a (CH) | 114.3 |
| 8b (CH) | 129.7 |
| 8c (C) | 77.4 |
| 8d (CH3) | 27.5 |
| 8e (CH3) | 27.5 |
| 4'a (CH3) | 55 |
