Spektraris NMR
Licoagroside E
Common Name: Licoagroside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O10/c1-28-10-3-5-13-15(6-10)31-20-12-4-2-11(7-14(12)29-9-22(13,20)27)30-21-19(26)18(25)17(24)16(8-23)32-21/h2-7,16-21,23-27H,8-9H2,1H3/t16-,17-,18+,19-,20+,21-,22-/m1/s1
InChIKey: InChIKey=XGOMWYMWTMHUAG-GELPZEIDSA-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) | 132.8 |
| 2 (CH) | 111.4 |
| 3 (C) | 160 |
| 4 (CH) | 105.1 |
| 4a (C) | 156.8 |
| 6 (CH2) | 70.7 |
| 6a (C) | 76.3 |
| 6b (C) | 123.1 |
| 7 (CH) | 124.9 |
| 8 (CH) | 107.6 |
| 9 (C) | 162.6 |
| 10 (CH) | 97.4 |
| 10a (C) | 161.7 |
| 11a (CH) | 86.2 |
| 11b (C) | 115.5 |
| 1' (CH) | 102.1 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.2 |
| 9a (CH3) | 55.5 |
