Spektraris NMR
purpurin
Common Name: purpurin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O6/c1-12(24)26-21-19-18-16(28-22(19)29-23(21,2)3)10-9-14-15(25)11-17(27-20(14)18)13-7-5-4-6-8-13/h4-10,17,19,21-22H,11H2,1-3H3/t17-,19+,21+,22-/m0/s1
InChIKey: InChIKey=QLKSLGRVBGVPPG-GWWHBBDRSA-N
Formula: C23H22O6
Molecular Weight: 394.418052
Exact Mass: 394.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - E.V. Rao, N.R. Raju Phytochemistry (1984) 23, 2339
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 79.8 |
| 3 (CH2) | 44.8 |
| 4 (C) | 189.8 |
| 5 (CH) | 128.5 |
| 6 (CH) | 112.4 |
| 7 (C) | 165.4 |
| 8 (C) | 112.9 |
| 9 (C) | 158.1 |
| 10 (C) | 115.9 |
| 1' (C) | 138.9 |
| 2' (CH) | 125.7 |
| 3' (CH) | 128.8 |
| 4' (CH) | 130.4 |
| 5' (CH) | 128.8 |
| 6' (CH) | 125.7 |
| 7a (CH) | 87.7 |
| 8a (CH) | 80.4 |
| 8b (CH) | 52.4 |
| 8c (C) | 105 |
| 8d (CH3) | 27.5 |
| 8e (CH3) | 23.1 |
| 8f (C) | 169.5 |
| 8g (CH3) | 20.7 |
