Spektraris NMR
2'-(10,11-dihydroxy-1-bibenzyl-oxy)-1'-methoxy-6',10',11'-trihydroxy-7',8'-dihydrophenanthrene
Common Name: 2'-(10,11-dihydroxy-1-bibenzyl-oxy)-1'-methoxy-6',10',11'-trihydroxy-7',8'-dihydrophenanthrene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H24O7/c1-35-28-24(32)15-18-9-12-21-20(13-14-23(31)27(21)34)25(18)29(28)36-19-10-6-16(7-11-19)5-8-17-3-2-4-22(30)26(17)33/h2-4,6-7,9-15,30-34H,5,8H2,1H3
InChIKey: InChIKey=NXBBDXMIPIYDDE-UHFFFAOYSA-N
Formula: C29H24O7
Molecular Weight: 484.497754
Exact Mass: 484.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Flegel, M., Adam, K.P., Becker, H. Phytochemistry (1999) 52, 1633-8
Species:
Notes: Family : Aromatics, Type : 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) | 128.6 |
| 2 (C) | 142.4 |
| 3 (C) | 143.8 |
| 4 (CH) | 112.8 |
| 5 (CH) | 119.8 |
| 6 (CH) | 121.4 |
| α (CH2) | 32 |
| β (CH2) | 35.3 |
| 1' (C) | 135.4 |
| 2' (CH) | 129.3 |
| 3' (CH) | 114.9 |
| 4' (C) | 155.7 |
| 5' (CH) | 114.9 |
| 6' (CH) | 129.3 |
| 1'' (C) | 138.8 |
| 2'' (C) | 147.8 |
| 3'' (C) | 121.4 |
| 4'' (C) | 135.2 |
| 5'' (CH) | 111.7 |
| 6'' (C) | 144.7 |
| 7'' (CH) | 29.6 |
| 8'' (CH) | 21.5 |
| 9'' (C) | 124.9 |
| 10'' (C) | 140.6 |
| 11'' (C) | 142.4 |
| 12'' (CH) | 112.3 |
| 13'' (CH) | 119.5 |
| 14'' (C) | 124.9 |
| 1''a (CH3) | 61.2 |
