Spektraris NMR
CHEMBL479319
Common Name: CHEMBL479319
Synonyms: CHEMBL479319
CAS Registry Number:
InChI: InChI=1S/C23H26O5/c1-14(2)8-7-9-15(3)18(24)12-17-19(25)13-20(26)21(23(17)28)22(27)16-10-5-4-6-11-16/h4-6,8,10-11,13,18,24-26,28H,3,7,9,12H2,1-2H3/t18-/m1/s1
InChIKey: InChIKey=VGLKZKNLQQGYHR-GOSISDBHSA-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) | 104.5 |
| 2 (C) | 161.9 |
| 3 (C) | 105.8 |
| 4 (C) | 164.2 |
| 5 (CH) | 97.1 |
| 6 (C) | 159.8 |
| 7 (CH2) | 29.1 |
| 8 (CH) | 77 |
| 9 (C) | 151 |
| 10 (CH2) | 32.2 |
| 11 (CH2) | 26.5 |
| 12 (CH) | 123.7 |
| 13 (C) | 132 |
| 14 (CH3) | 17.7 |
| 1' (C) | 140.3 |
| 2' (CH) | 127.8 |
| 3' (CH) | 129 |
| 4' (CH) | 132.3 |
| 5' (CH) | 129 |
| 6' (CH) | 127.8 |
| 7' (C) | 197.8 |
| 9a (CH2) | 109.3 |
| 13a (CH3) | 25.7 |
