Spektraris NMR
Erysubin F
Common Name: Erysubin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O4/c1-15(2)5-7-18-13-17(8-11-22(18)26)21-14-29-25-19(9-6-16(3)4)23(27)12-10-20(25)24(21)28/h5-6,8,10-14,26-27H,7,9H2,1-4H3
InChIKey: InChIKey=YBJJPNXZVZRDIU-UHFFFAOYSA-N
Formula: C25H26O4
Molecular Weight: 390.472477
Exact Mass: 390.183109
NMR Solvent: CD3COCD3
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 : Isoflavonoids, Group : Isoflavones; 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) | 153.1 |
| 3 (C) | 125 |
| 4 (C) | 176.1 |
| 5 (CH) | 125.3 |
| 6 (CH) | 114.7 |
| 7 (C) | 160.1 |
| 8 (C) | 116.3 |
| 9 (C) | 156.5 |
| 10 (C) | 118.8 |
| 1' (C) | 124.6 |
| 2' (CH) | 131.2 |
| 3' (C) | 128.4 |
| 4' (C) | 155.6 |
| 5' (CH) | 115.4 |
| 6' (CH) | 128.4 |
| 8a (CH2) | 22.6 |
| 8b (CH) | 122.5 |
| 8c (C) | 132.5 |
| 8d (CH3) | 17.8 |
| 8e (CH3) | 25.8 |
| 3'a (CH2) | 29.2 |
| 3'b (CH) | 123.8 |
| 3'c (C) | 132.3 |
| 3'd (CH3) | 25.9 |
| 3'e (CH3) | 17.9 |
