Spektraris NMR
5-Hydroxyjusticidin A
Common Name: 5-Hydroxyjusticidin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O8/c1-25-15-7-11-16(10-4-5-13-14(6-10)30-9-29-13)17-12(8-28-22(17)24)20(26-2)18(11)19(23)21(15)27-3/h4-7,23H,8-9H2,1-3H3
InChIKey: InChIKey=DAJCPKBGJAUYSO-UHFFFAOYSA-N
Formula: C22H18O8
Molecular Weight: 410.374363
Exact Mass: 410.100168
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tian, J.M., Hao, X.J., He, H.P. Helv Chim Acta (2006) 89, 291-8
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) | 116.8 |
| 2 (C) | 133.7 |
| 3 (CH) | 99.5 |
| 4 (C) | 154.7 |
| 5 (C) | 137.6 |
| 6 (C) | 147.8 |
| 7 (C) | 150.2 |
| 8 (C) | 125.2 |
| 9 (CH2) | 67.2 |
| 1' (C) | 129.8 |
| 2' (CH) | 111.5 |
| 3' (C) | 148.4 |
| 4' (C) | 148.2 |
| 5' (CH) | 108.7 |
| 6' (CH) | 124.4 |
| 7' (C) | 135.4 |
| 8' (C) | 121.7 |
| 9' (C) | 169.2 |
| 4a (CH3) | 55.8 |
| 5a (CH3) | 60.5 |
| 7a (CH3) | 61.5 |
| 3'a (CH2) | 102.1 |
