Spektraris NMR
Andrographin
Common Name: Andrographin
Synonyms: Andrographin
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-21-13-7-5-4-6-10(13)14-8-11(19)16-12(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3
InChIKey: InChIKey=AJMNTEFGXPRZHG-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - T. Tomimori, Y. Miyaichi, Y. Imoto, H. Kizu Shoyakugaku Zasshi (1984) 38, 249
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 |
|---|---|
| 2 (C) | 161.8 |
| 3 (CH) | 109.6 |
| 4 (C) | 182.4 |
| 5 (C) | 156.8 |
| 6 (CH) | 96 |
| 7 (C) | 158.7 |
| 8 (C) | 129.1 |
| 9 (C) | 149.2 |
| 10 (C) | 104.1 |
| 1' (C) | 119.6 |
| 2' (C) | 158 |
| 3' (CH) | 112.7 |
| 4' (CH) | 133.4 |
| 5' (CH) | 121 |
| 6' (CH) | 129.1 |
| 7a (CH3) | 56 |
| 8a (CH3) | 56.5 |
| 2'a (CH3) | 61 |
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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.