Spektraris NMR
Erysubin D
Common Name: Erysubin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1
InChIKey: InChIKey=UNODSKHATHZQGW-HRKCMRQESA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
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) | 66.6 |
| 3 (CH) | 39.9 |
| 4 (CH) | 78.7 |
| 5 (CH) | 132 |
| 6 (C) | 121 |
| 7 (C) | 155.8 |
| 8 (CH) | 104 |
| 9 (C) | 155.1 |
| 10 (C) | 112.3 |
| 1' (C) | 118.1 |
| 2' (CH) | 122.7 |
| 3' (CH) | 109.2 |
| 4' (C) | 153.8 |
| 5' (C) | 103.3 |
| 6' (C) | 158.5 |
| 6a (CH2) | 29.3 |
| 6b (CH) | 121.9 |
| 6c (C) | 134.9 |
| 6d (CH3) | 25.8 |
| 6ad (CH3) | 17.9 |
| 5'a (CH2) | 26.3 |
| 5'b (CH) | 69.2 |
| 5'c (C) | 76.8 |
| 5'd (CH3) | 22.1 |
| 5'ac (CH3) | 24.6 |
