Spektraris NMR
Piperphilippinin I
Common Name: Piperphilippinin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O6/c1-24-18-9-11(3-5-16(18)21)6-13-10-25-19(23)14(13)7-12-2-4-15(20)17(22)8-12/h2-5,8-9,13-14,20-22H,6-7,10H2,1H3/t13-,14+/m0/s1
InChIKey: InChIKey=QIYGFJXYYCKUFJ-UONOGXRCSA-N
Formula: C19H20O6
Molecular Weight: 344.359227
Exact Mass: 344.125988
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Chen, Y.C., Liao, C.H., Chen, I.S. Phytochemistry (2007) 68, 2101-11
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 131.7 |
| 2 (CH) | 113.6 |
| 3 (C) | 148.9 |
| 4 (C) | 145.2 |
| 5 (CH) | 116.4 |
| 6 (CH) | 122.5 |
| 7 (CH2) | 38.8 |
| 8 (CH) | 42.9 |
| 9 (CH2) | 72.2 |
| 1' (C) | 131.4 |
| 2' (CH) | 117.9 |
| 3' (C) | 146.5 |
| 4' (C) | 146.5 |
| 5' (CH) | 116.7 |
| 6' (CH) | 122.3 |
| 7' (CH2) | 35.3 |
| 8' (CH) | 47.4 |
| 9' (C) | 179.8 |
| 3a (CH3) | 56.8 |
