Spektraris NMR
Neojusticin A
Common Name: Neojusticin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H14O7/c1-23-20-12-6-17-16(27-9-28-17)5-11(12)18(13-7-24-21(22)19(13)20)10-2-3-14-15(4-10)26-8-25-14/h2-6H,7-9H2,1H3
InChIKey: InChIKey=WOELDRZIQLRDQB-UHFFFAOYSA-N
Formula: C21H14O7
Molecular Weight: 378.332459
Exact Mass: 378.073953
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) | 135 |
| 2 (C) | 125 |
| 3 (CH) | 101.8 |
| 4 (C) | 148.6 |
| 5 (C) | 151.5 |
| 6 (CH) | 99.8 |
| 7 (C) | 155 |
| 8 (C) | 110.7 |
| 9 (C) | 168.9 |
| 1' (C) | 129.3 |
| 2' (CH) | 110.2 |
| 3' (C) | 147.6 |
| 4' (C) | 148.2 |
| 5' (CH) | 109.3 |
| 6' (CH) | 123.6 |
| 7' (C) | 127.5 |
| 8' (C) | 140.2 |
| 9' (CH2) | 69 |
| 4a (CH2) | 102.8 |
| 7a (CH3) | 63.6 |
| 3'a (CH2) | 101.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.