Spektraris NMR
Petiolin F
Common Name: Petiolin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O10/c1-7-15(24)17(26)18(27)19(28-7)29-13-6-11(22)5-12(23)14(13)16(25)8-2-9(20)4-10(21)3-8/h2-7,15,17-24,26-27H,1H3/t7-,15-,17+,18+,19-/m0/s1
InChIKey: InChIKey=DWDGUCPATVTPNQ-LYIAWLSCSA-N
Formula: C19H20O10
Molecular Weight: 408.356846
Exact Mass: 408.105647
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Kubota, T., Kashiwada, Y., Takaishi, Y., Kobayashi, J. Chem Pharm Bull (2009) 57, 1171-3
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) | 143.9 |
| 2 (CH) | 106.7 |
| 3 (C) | 158.5 |
| 4 (CH) | 106.1 |
| 5 (C) | 158.5 |
| 6 (CH) | 106.7 |
| 1' (C) | 106.8 |
| 2' (C) | 159.3 |
| 3' (CH) | 94.8 |
| 4' (C) | 163.9 |
| 5' (CH) | 97 |
| 6' (C) | 163.1 |
| 7' (C) | 198.2 |
| 1'' (CH) | 99.5 |
| 2'' (CH) | 70.4 |
| 3'' (CH) | 71.2 |
| 4'' (CH) | 72.8 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 17.6 |
