Spektraris NMR
SCHEMBL10623004
Common Name: SCHEMBL10623004
Synonyms: SCHEMBL10623004
CAS Registry Number:
InChI: InChI=1S/C21H14O4/c22-16-10-18(23)20-19(11-16)25-12-17(21(20)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,22-23H
InChIKey: InChIKey=MPVQIJMBXYXRGH-UHFFFAOYSA-N
Formula: C21H14O4
Molecular Weight: 330.334244
Exact Mass: 330.089209
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pelter, A., Ward, R.S., Bass, R.J. J Chem Soc, Perkin Trans 1 (1978) 0, 666-8
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) | 154.9 |
| 3 (C) | 123.5 |
| 4 (C) | 181.1 |
| 5 (C) | 163.7 |
| 6 (CH) | 99.9 |
| 7 (C) | 165 |
| 8 (CH) | 94.5 |
| 9 (C) | 158.8 |
| 10 (C) | 106 |
| 1' (C) | 131 |
| 2' (CH) | 130.2 |
| 3' (CH) | 127.5 |
| 4' (C) | 141.3 |
| 5' (CH) | 127.5 |
| 6' (CH) | 130.2 |
| 4'a (C) | 141.1 |
| 4'b (CH) | 129.6 |
| 4'c (CH) | 127.4 |
| 4'd (CH) | 128.2 |
| 4'e (CH) | 127.4 |
| 4'f (CH) | 129.6 |
