Spektraris NMR
Licoagroisoflavone
Common Name: Licoagroisoflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s1
InChIKey: InChIKey=CQXOSSCKEFRIBR-OAHLLOKOSA-N
Formula: C20H16O5
Molecular Weight: 336.338795
Exact Mass: 336.099774
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, W., Asada, Y., Koike, K., Hirotani, M., Rui, H., Yoshikawa, T., Nikaido, T. Phytochemistry (2001) 58, 595-8
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) | 153.6 |
| 3 (C) | 123.7 |
| 4 (C) | 181.6 |
| 5 (C) | 157.9 |
| 6 (C) | 109.1 |
| 7 (C) | 166.7 |
| 8 (CH) | 89.3 |
| 9 (C) | 158.7 |
| 10 (C) | 107.1 |
| 1' (C) | 122.3 |
| 2' (CH) | 131.2 |
| 3' (CH) | 116.5 |
| 4' (C) | 159.5 |
| 5' (CH) | 116.5 |
| 6' (CH) | 131.2 |
| 6a (CH2) | 31 |
| 6b (CH) | 88.5 |
| 6c (C) | 144 |
| 6d (CH3) | 17.2 |
| 6e (CH2) | 112.7 |
