Spektraris NMR
6'-Hydroxy justicidin C
Common Name: 6'-Hydroxy justicidin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O8/c1-25-15-4-10-11(5-16(15)26-2)21(27-3)20-13(8-28-22(20)24)19(10)12-6-17-18(7-14(12)23)30-9-29-17/h4-7,23H,8-9H2,1-3H3
InChIKey: InChIKey=UMOJJWBCGIBDRN-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) | 133.4 |
| 2 (C) | 123 |
| 3 (CH) | 104.6 |
| 4 (C) | 149.7 |
| 5 (C) | 152.1 |
| 6 (CH) | 101.9 |
| 7 (C) | 154.4 |
| 8 (C) | 109.6 |
| 9 (C) | 168.9 |
| 1' (C) | 113.1 |
| 2' (CH) | 109.9 |
| 3' (C) | 140.4 |
| 4' (C) | 148 |
| 5' (CH) | 98.4 |
| 6' (C) | 149.5 |
| 7' (C) | 123.8 |
| 8' (C) | 139.9 |
| 9' (CH2) | 69 |
| 4a (CH3) | 55.7 |
| 5a (CH3) | 55.5 |
| 7a (CH3) | 63.2 |
| 3'a (CH2) | 101.3 |
