Spektraris NMR
Tovophenone A
Common Name: Tovophenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O5/c1-17(2)11-13-20(19(5)6)16-24-28(33)25(26(31)21-9-8-10-22(30)15-21)27(32)23(29(24)34-7)14-12-18(3)4/h8-10,12,15,20,30,32-33H,1,5,11,13-14,16H2,2-4,6-7H3
InChIKey: InChIKey=MDZVTKOPDGCETA-UHFFFAOYSA-N
Formula: C29H36O5
Molecular Weight: 464.594233
Exact Mass: 464.256274
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) | 107.4 |
| 2 (C) | 157.8 |
| 3 (C) | 114.1 |
| 4 (C) | 164.2 |
| 5 (C) | 113.6 |
| 6 (C) | 157.3 |
| 1' (C) | 141.5 |
| 2' (CH) | 114.7 |
| 3' (C) | 156.2 |
| 4' (CH) | 119.5 |
| 5' (CH) | 130.2 |
| 6' (CH) | 120.2 |
| 7' (C) | 198.4 |
| 1'' (CH2) | 28.6 |
| 2'' (CH) | 46.7 |
| 3'' (C) | 148.1 |
| 4'' (CH2) | 111.4 |
| 5'' (CH3) | 18.5 |
| 6'' (CH2) | 30.5 |
| 7'' (CH2) | 35.6 |
| 8'' (C) | 146.3 |
| 9'' (CH2) | 109.3 |
| 10'' (CH3) | 22.4 |
| 1''' (CH2) | 22.9 |
| 2''' (CH) | 122.4 |
| 3''' (C) | 133.3 |
| 4''' (CH3) | 17.8 |
| 5''' (CH3) | 25.6 |
| 4a (CH3) | 61.3 |
