Spektraris NMR
Pochonin F
Common Name: Pochonin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O5/c1-12-5-2-7-14(19)8-4-9-15(20)11-13-6-3-10-16(21)17(13)18(22)23-12/h2-4,6-7,9-10,12,14,19,21H,5,8,11H2,1H3/b7-2+,9-4+/t12-,14?/m0/s1
InChIKey: InChIKey=NIMIQOAJWDUION-PSSJVONPSA-N
Formula: C18H20O5
Molecular Weight: 316.349086
Exact Mass: 316.131074
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hellwig V., Mayer-Bartschmid A., Muller H., Greif G., Kleymann G., Zitzmann W., Tichy H.V., Stadler M. J Nat Prod (2003) 66, 829-37
Species:
Notes: Family : Aromatics, Type : Benzenes; 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 (CH3) | 19.39 |
| 2 (CH) | 70.79 |
| 3 (CH2) | 37.9 |
| 4 (CH) | 126.87 |
| 5 (CH) | 136.47 |
| 6 (CH) | 71.01 |
| 7 (CH2) | 40.03 |
| 8 (CH) | 146.03 |
| 9 (CH) | 131.2 |
| 10 (C) | 197.12 |
| 11 (CH2) | 44.9 |
| 12 (C) | 136.47 |
| 13 (CH) | 108.35 |
| 14 (CH) | 160.33 |
| 15 (CH) | 101.56 |
| 16 (C) | 159.4 |
| 17 (C) | 111.16 |
| 18 (C) | 168.75 |
