Spektraris NMR
Erysubin E
Common Name: Erysubin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-6-14-9-16-20(11-18(14)26)29-12-25(28)17-7-8-19-15(22(17)30-23(16)25)10-21(27)24(3,4)31-19/h5,7-11,23,26-28H,6,12H2,1-4H3/t23-,25+/m0/s1
InChIKey: InChIKey=FBVVSXZDIUOSKL-UKILVPOCSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka H., Etoh H., Watanabe N., Shimizu H., Ahmad M., Rizwani G.H. Phytochemistry (2001) 56, 769-73
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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 (CH2) | 69.8 |
| 3 (C) | 76.9 |
| 4 (CH) | 84.9 |
| 5 (CH) | 132.1 |
| 6 (C) | 121.7 |
| 7 (C) | 155.8 |
| 8 (CH) | 104.1 |
| 9 (C) | 154.3 |
| 10 (C) | 112.1 |
| 1' (C) | 120.1 |
| 2' (CH) | 122.8 |
| 3' (CH) | 109.6 |
| 4' (C) | 155.2 |
| 5' (C) | 106.5 |
| 6' (C) | 155.5 |
| 6a (CH2) | 29.3 |
| 6b (CH) | 121.7 |
| 6c (C) | 135.1 |
| 6d (CH3) | 25.8 |
| 6ad (CH3) | 17.9 |
| 5'a (CH) | 116 |
| 5'b (C) | 129.6 |
| 5'c (C) | 76.4 |
| 5'd (CH3) | 27.9 |
| 5'ac (CH3) | 27.9 |
