Spektraris NMR
6'-Hydroxy justicidin A
Common Name: 6'-Hydroxy justicidin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O8/c1-25-15-4-10-11(5-16(15)26-2)21(27-3)13-8-28-22(24)20(13)19(10)12-6-17-18(7-14(12)23)30-9-29-17/h4-7,23H,8-9H2,1-3H3
InChIKey: InChIKey=DFVZQTUMRRMHEL-UHFFFAOYSA-N
Formula: C22H18O8
Molecular Weight: 410.374363
Exact Mass: 410.100168
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) | 130.1 |
| 2 (C) | 125.4 |
| 3 (CH) | 106.4 |
| 4 (C) | 151.6 |
| 5 (C) | 150.3 |
| 6 (CH) | 101 |
| 7 (C) | 147.6 |
| 8 (C) | 124.4 |
| 9 (CH2) | 67.1 |
| 1' (C) | 113.6 |
| 2' (CH) | 111 |
| 3' (C) | 140.1 |
| 4' (C) | 147.7 |
| 5' (CH) | 98.1 |
| 6' (C) | 150 |
| 7' (C) | 130.7 |
| 8' (C) | 120.2 |
| 9' (C) | 169.6 |
| 4a (CH3) | 56.1 |
| 5a (CH3) | 55.7 |
| 7a (CH3) | 59.6 |
| 3'a (CH2) | 101.3 |
