Spektraris NMR
Licoagroside A
Common Name: Licoagroside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O12/c1-31-16-4-10-14(5-13(16)26)33-8-11(19(10)27)9-3-12(25)17(32-2)6-15(9)34-23-22(30)21(29)20(28)18(7-24)35-23/h3-6,8,18,20-26,28-30H,7H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey: InChIKey=RQLOWOYMKFVTBB-DODNOZFWSA-N
Formula: C23H24O12
Molecular Weight: 492.430363
Exact Mass: 492.126776
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, W., Asada, Y., Yoshikawa, T. Phytochemistry (2000) 55, 447-56
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) | 156.8 |
| 3 (C) | 122.6 |
| 4 (C) | 178.3 |
| 5 (CH) | 105.4 |
| 6 (C) | 148.7 |
| 7 (C) | 155.1 |
| 8 (CH) | 104 |
| 9 (C) | 154.5 |
| 10 (C) | 117.9 |
| 1' (C) | 115.5 |
| 2' (C) | 150.4 |
| 3' (CH) | 103.4 |
| 4' (C) | 149.7 |
| 5' (C) | 142.8 |
| 6' (CH) | 118.7 |
| 1'' (CH) | 104.3 |
| 2'' (CH) | 74.9 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.8 |
| 6a (CH3) | 56.7 |
| 4'a (CH3) | 56.6 |
