Spektraris NMR
Licoagroside C
Common Name: Licoagroside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O10/c1-28-9-2-4-11-13(6-9)30-20-12-5-3-10(7-14(12)31-21(27)16(11)20)29-22-19(26)18(25)17(24)15(8-23)32-22/h2-7,15,17-19,22-26H,8H2,1H3/t15-,17-,18+,19-,22-/m1/s1
InChIKey: InChIKey=MCZJEXQGWXOYBF-DRASZATQSA-N
Formula: C22H20O10
Molecular Weight: 444.389054
Exact Mass: 444.105647
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 : Pterocarpanoids; 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 (CH) | 121.8 |
| 2 (CH) | 114.7 |
| 3 (C) | 161.4 |
| 4 (CH) | 105.2 |
| 6 (C) | 158.2 |
| 7 (CH) | 123 |
| 8 (CH) | 114.1 |
| 9 (C) | 160 |
| 10 (CH) | 97.6 |
| 11 (C) | 157 |
| 12 (C) | 160 |
| 13 (C) | 107.4 |
| 14 (C) | 155.3 |
| 15 (C) | 104.3 |
| 16 (C) | 117.1 |
| 1' (CH) | 102.2 |
| 2' (CH) | 75 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH) | 79.4 |
| 6' (CH2) | 62.5 |
| 9a (CH3) | 56 |
