Spektraris NMR
CHEMBL479475
Common Name: CHEMBL479475
Synonyms: CHEMBL479475
CAS Registry Number:
InChI: InChI=1S/C23H26O5/c1-14(2)18(24)12-10-15(3)9-11-17-19(25)13-20(26)21(23(17)28)22(27)16-7-5-4-6-8-16/h4-9,13,18,24-26,28H,1,10-12H2,2-3H3/b15-9+/t18-/m1/s1
InChIKey: InChIKey=SQVLUKXMKYWAOR-IKFRKZOMSA-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) | 104.7 |
| 2 (C) | 160.9 |
| 3 (C) | 106.7 |
| 4 (C) | 162.5 |
| 5 (CH) | 95.2 |
| 6 (C) | 159.5 |
| 7 (CH2) | 21.7 |
| 8 (CH) | 122.2 |
| 9 (C) | 138.3 |
| 10 (CH2) | 35.8 |
| 11 (CH2) | 32.9 |
| 12 (CH) | 75.7 |
| 13 (C) | 147.3 |
| 14 (CH2) | 111.2 |
| 1' (C) | 140.1 |
| 2' (CH) | 127.9 |
| 3' (CH) | 129.2 |
| 4' (CH) | 132.3 |
| 5' (CH) | 129.2 |
| 6' (CH) | 127.9 |
| 7' (C) | 197.8 |
| 9a (CH3) | 17.8 |
| 13a (CH3) | 16.2 |
