Spektraris NMR
Licoagroside D
Common Name: Licoagroside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O10/c1-28-13-5-4-10-12-8-29-14-6-9(2-3-11(14)20(12)32-21(10)17(13)25)30-22-19(27)18(26)16(24)15(7-23)31-22/h2-6,12,15-16,18-20,22-27H,7-8H2,1H3/t12-,15+,16+,18-,19+,20-,22+/m0/s1
InChIKey: InChIKey=SODZZSVBHUWRIB-CURKMXJFSA-N
Formula: C22H24O10
Molecular Weight: 448.420817
Exact Mass: 448.136947
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 : 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) | 132.5 |
| 2 (CH) | 110.9 |
| 3 (C) | 159.6 |
| 4 (CH) | 105 |
| 4a (C) | 157 |
| 6 (CH2) | 66.8 |
| 6a (CH) | 40.6 |
| 6b (C) | 121.7 |
| 7 (CH) | 114.2 |
| 8 (CH) | 105.7 |
| 9 (C) | 150.2 |
| 10 (C) | 133.3 |
| 10a (C) | 148.3 |
| 11a (CH) | 78.7 |
| 11b (C) | 114.7 |
| 1' (CH) | 101.8 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.1 |
| 9a (CH3) | 56.4 |
