Spektraris NMR
Licoagroside F
Common Name: Licoagroside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15(7-10-1-3-11(23)4-2-10)17(26)13-6-5-12(24)8-14(13)25/h1-6,8,15-16,18-25,27-29H,7,9H2/t15-,16+,18+,19-,20+,21+/m0/s1
InChIKey: InChIKey=GATJXNOZPSWBQU-QVXYZCAPSA-N
Formula: C21H24O10
Molecular Weight: 436.410081
Exact Mass: 436.136947
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, W., Koike, K., Asada, Y., Hirotani, M., Rui, H., Yoshikawa, T., Nikaido, T. Phytochemistry (2002) 60, 351-5
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 127.4 |
| 2 (CH) | 131.1 |
| 3 (CH) | 116 |
| 4 (C) | 157.5 |
| 5 (CH) | 116 |
| 6 (CH) | 131.1 |
| α (CH) | 79.3 |
| β (CH2) | 39.4 |
| 1' (C) | 113.3 |
| 2' (C) | 167.1 |
| 3' (CH) | 103.6 |
| 4' (C) | 166.6 |
| 5' (CH) | 109.4 |
| 6' (CH) | 134 |
| β' (C) | 202.6 |
| 1'' (CH) | 103.2 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.7 |
