Spektraris NMR
Tovophenone C
Common Name: Tovophenone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O6/c1-16(2)11-12-18(17(3)4)14-21-26(32)24(25(31)19-9-8-10-20(30)13-19)28-22(27(21)34-7)15-23(35-28)29(5,6)33/h8-10,13,18,23,30,32-33H,1,3,11-12,14-15H2,2,4-7H3
InChIKey: InChIKey=KHCZTQXZRBKGKK-UHFFFAOYSA-N
Formula: C29H36O6
Molecular Weight: 480.593638
Exact Mass: 480.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seo, E.K., Wall, M.E., Wani, M.C., Navarro, H., Mukherjee, R., Farnsworth, N.R., Kinghorn, A.D. Phytochemistry (1999) 52, 669-74
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) | 102.3 |
| 2 (C) | 160.9 |
| 3 (C) | 112.1 |
| 4 (C) | 161.5 |
| 5 (C) | 105.1 |
| 6 (C) | 161.5 |
| 1' (C) | 142.9 |
| 2' (CH) | 114.7 |
| 3' (C) | 155.6 |
| 4' (CH) | 117.9 |
| 5' (CH) | 129 |
| 6' (CH) | 123.6 |
| 7' (C) | 198.5 |
| 1'' (CH2) | 27.8 |
| 2'' (CH) | 46.7 |
| 3'' (C) | 148 |
| 4'' (CH2) | 111 |
| 5'' (CH3) | 18.2 |
| 6'' (CH2) | 30.5 |
| 7'' (CH2) | 35.6 |
| 8'' (C) | 146.4 |
| 9'' (CH2) | 109.2 |
| 10'' (CH3) | 22.4 |
| 1''' (CH2) | 29.4 |
| 2''' (CH) | 90.3 |
| 3''' (C) | 71.7 |
| 4''' (CH3) | 25.5 |
| 5''' (CH3) | 23.6 |
| 4a (CH3) | 58.5 |
