Spektraris NMR
Neojusticin C
Common Name: Neojusticin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H16O8/c1-25-15-4-9-10(3-14(15)23)20(26-2)19-12(7-27-21(19)24)18(9)11-5-16-17(6-13(11)22)29-8-28-16/h3-6,22-23H,7-8H2,1-2H3
InChIKey: InChIKey=UCEATGMCHOSKKU-UHFFFAOYSA-N
Formula: C21H16O8
Molecular Weight: 396.347745
Exact Mass: 396.084517
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, G.R., Wu, J., Si, J.Y., Wang, J.M., Yang, M.H. Magn Reson Chem (2008) 46, 283-6
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) | 133.2 |
| 2 (C) | 122.2 |
| 3 (CH) | 107.5 |
| 4 (C) | 149.3 |
| 5 (C) | 150.6 |
| 6 (CH) | 102.1 |
| 7 (C) | 154.4 |
| 8 (C) | 108.5 |
| 9 (C) | 168.5 |
| 1' (C) | 129.3 |
| 2' (CH) | 109.9 |
| 3' (C) | 146.8 |
| 4' (C) | 147.5 |
| 5' (CH) | 108.7 |
| 6' (C) | 123 |
| 7' (C) | 125.5 |
| 8' (C) | 138.5 |
| 9' (CH2) | 68.3 |
| 4a (CH3) | 55.5 |
| 7a (CH3) | 62.9 |
| 3'a (CH2) | 101.2 |
