Spektraris NMR
6'-Hydroxy justicidin B
Common Name: 6'-Hydroxy justicidin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H16O7/c1-24-15-4-10-3-11-8-26-21(23)19(11)20(12(10)5-16(15)25-2)13-6-17-18(7-14(13)22)28-9-27-17/h3-7,22H,8-9H2,1-2H3
InChIKey: InChIKey=NXDFXQJRGLAEKK-UHFFFAOYSA-N
Formula: C21H16O7
Molecular Weight: 380.34834
Exact Mass: 380.089603
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Yang, M., Wu, J., Cheng, F., Zhou, Y. Magn Reson Chem (2006) 44, 727-30
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 128.1 |
| 2 (C) | 132.9 |
| 3 (CH) | 105.6 |
| 4 (C) | 151.5 |
| 5 (C) | 149.7 |
| 6 (CH) | 106.7 |
| 7 (CH) | 118.6 |
| 8 (C) | 139.9 |
| 9 (CH2) | 68.1 |
| 1' (C) | 113.2 |
| 2' (CH) | 110.4 |
| 3' (C) | 139.8 |
| 4' (C) | 147.7 |
| 5' (CH) | 97.8 |
| 6' (C) | 149.6 |
| 7' (C) | 136.2 |
| 8' (C) | 118.7 |
| 9' (C) | 169.7 |
| 4a (CH3) | 55.8 |
| 5a (CH3) | 55.3 |
| 3'a (CH2) | 101 |
