Spektraris NMR
alpha,beta-Dihydrorhaponticin
Common Name: alpha,beta-Dihydrorhaponticin
Synonyms: alpha,beta-Dihydrorhaponticin
CAS Registry Number:
InChI: InChI=1S/C21H26O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h4-9,17-27H,2-3,10H2,1H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey: InChIKey=GDZSRLULWTWRJK-YMQHIKHWSA-N
Formula: C21H26O9
Molecular Weight: 422.426558
Exact Mass: 422.157682
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Biondi, D.M., Rocco, C., Ruberto, G. J Nat Prod (2005) 68, 1099-102
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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 |
|---|---|
| 1 (C) | 143 |
| 2 (CH) | 101.8 |
| 3 (C) | 159.8 |
| 4 (CH) | 110.1 |
| 5 (C) | 159 |
| 6 (CH) | 108.7 |
| α (CH2) | 38.5 |
| β (CH2) | 37.5 |
| 1' (C) | 134 |
| 2' (CH) | 112.9 |
| 3' (C) | 146 |
| 4' (C) | 145.6 |
| 5' (CH) | 115.5 |
| 6' (CH) | 120 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 62.6 |
| 4'a (CH3) | 56.2 |
