Spektraris NMR
CHEMBL480854
Common Name: CHEMBL480854
Synonyms: CHEMBL480854
CAS Registry Number:
InChI: InChI=1S/C23H26O5/c1-14(2)8-7-11-23(3)19(26)12-16-17(24)13-18(25)20(22(16)28-23)21(27)15-9-5-4-6-10-15/h4-6,8-10,13,19,24-26H,7,11-12H2,1-3H3/t19-,23-/m0/s1
InChIKey: InChIKey=FVSFDNITEZDVAF-CVDCTZTESA-N
Formula: C23H26O5
Molecular Weight: 382.45041
Exact Mass: 382.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pecchio, M., Solis, P.N., Lopez-Perez, J.L., Vasquez, Y., Rodriguez, N., Olmedo, D., Correa, M., San Feliciano, A., Gupta, M.P. J Nat Prod (2006) 69, 410-3
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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 (C) | 105.7 |
| 2 (C) | 155.4 |
| 3 (C) | 98.5 |
| 4 (C) | 161 |
| 5 (CH) | 95.8 |
| 6 (C) | 163.9 |
| 7 (CH2) | 25.3 |
| 8 (CH) | 67.1 |
| 9 (C) | 79.9 |
| 10 (CH2) | 37.2 |
| 11 (CH2) | 21.2 |
| 12 (CH) | 123.8 |
| 13 (C) | 131.9 |
| 14 (CH3) | 25.6 |
| 1' (C) | 142.5 |
| 2' (CH) | 127.4 |
| 3' (CH) | 127.7 |
| 4' (CH) | 130.5 |
| 5' (CH) | 127.7 |
| 6' (CH) | 127.4 |
| 7' (C) | 200 |
| 9a (CH3) | 17.6 |
| 13a (CH3) | 17.7 |
