Spektraris NMR
Pseudobaptigenin methyl ether
Common Name: Pseudobaptigenin methyl ether
Synonyms: Pseudobaptigenin methyl ether
CAS Registry Number:
InChI: InChI=1S/C17H12O5/c1-19-11-3-4-12-15(7-11)20-8-13(17(12)18)10-2-5-14-16(6-10)22-9-21-14/h2-8H,9H2,1H3
InChIKey: InChIKey=PCCZMNIBWCKFBC-UHFFFAOYSA-N
Formula: C17H12O5
Molecular Weight: 296.274824
Exact Mass: 296.068473
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vilain, C., Jadot, J. Bull Soc Chim Belg (1977) 86, 473
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) | 151.8 |
| 3 (C) | 124.7 |
| 4 (C) | 175.2 |
| 5 (CH) | 127.6 |
| 6 (CH) | 114.2 |
| 7 (C) | 164 |
| 8 (CH) | 99.7 |
| 9 (C) | 157.4 |
| 10 (C) | 118.1 |
| 1' (C) | 125.5 |
| 2' (CH) | 109.4 |
| 3' (C) | 147.4 |
| 4' (C) | 147.4 |
| 5' (CH) | 108 |
| 6' (CH) | 122.2 |
| 7a (CH3) | 55.3 |
| 3'a (CH2) | 100.8 |
