Spektraris NMR
7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
Common Name: 7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
Synonyms: 7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C19H16O7/c1-21-13-5-4-10-17(20)12(8-24-18(10)19(13)23-3)11-6-15-16(26-9-25-15)7-14(11)22-2/h4-8H,9H2,1-3H3
InChIKey: InChIKey=XSXRMXFZPXUKJE-UHFFFAOYSA-N
Formula: C19H16O7
Molecular Weight: 356.326869
Exact Mass: 356.089603
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rao, E.V., Murthy, M.S.R., Ward, R.S. Phytochemistry (1984) 23, 1493-501
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) | 154.5 |
| 3 (C) | 121.4 |
| 4 (C) | 174.6 |
| 5 (CH) | 120.7 |
| 6 (CH) | 111.4 |
| 7 (C) | 156.2 |
| 8 (C) | 136.8 |
| 9 (C) | 150.2 |
| 10 (C) | 118.9 |
| 1' (C) | 113.2 |
| 2' (C) | 153.1 |
| 3' (CH) | 96 |
| 4' (C) | 148.1 |
| 5' (C) | 140.8 |
| 6' (CH) | 111 |
| 7a (CH3) | 56.8 |
| 8a (CH3) | 57 |
| 2'a (CH3) | 61 |
| 4'a (CH2) | 101.3 |
