Spektraris NMR
Jayacanol
Common Name: Jayacanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)9-10-16-22-15(11-12-25(3,4)31-22)19(27)18-20(28)21(29)24(30-23(16)18)14-7-5-6-8-17(14)26/h5-9,11-12,21,24,26-27,29H,10H2,1-4H3/t21-,24+/m0/s1
InChIKey: InChIKey=TTYWGXALMUZLQM-XUZZJYLKSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alavez-Solano, D., Reyes-Chilpa, R., Jimenez-Estrada, M., Gomez-Garibay, F., Chavez-Uribe, I., Sousa-Sanchez, M. Phytochemistry (2000) 55, 953-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavononols; 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) | 78.5 |
| 3 (CH) | 73.22 |
| 4 (C) | 195.42 |
| 5 (C) | 160.99 |
| 6 (C) | 103.45 |
| 7 (C) | 156.13 |
| 8 (C) | 109.56 |
| 9 (C) | 159.07 |
| 10 (C) | 100.29 |
| 1' (C) | 124.19 |
| 2' (C) | 154 |
| 3' (CH) | 118.01 |
| 4' (CH) | 129.93 |
| 5' (CH) | 121.19 |
| 6' (CH) | 126.93 |
| 2'' (C) | 78.64 |
| 3'' (CH) | 126.46 |
| 4'' (CH) | 115.33 |
| 5'' (CH3) | 28.38 |
| 6'' (CH3) | 28.38 |
| 8a (CH2) | 21.29 |
| 8b (CH) | 122.12 |
| 8c (C) | 131.6 |
| 8d (CH3) | 25.69 |
| 8e (CH3) | 17.81 |
