Spektraris NMR
Piperphilippinin III
Common Name: Piperphilippinin III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-26-17-8-14(9-18(27-2)21(17)24)7-16-15(12-31-23(16)25)6-13-10-19(28-3)22(30-5)20(11-13)29-4/h7-11,15,24H,6,12H2,1-5H3/b16-7+/t15-/m0/s1
InChIKey: InChIKey=CZLLEPKEWJTTCK-PLWLOYALSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
NMR Solvent: CDCl3
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) | 133.5 |
| 2 (CH) | 105.8 |
| 3 (C) | 153.4 |
| 4 (C) | 137.1 |
| 5 (C) | 153.4 |
| 6 (CH) | 105.8 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 39.5 |
| 9 (CH2) | 69.7 |
| 1' (C) | 125.4 |
| 2' (CH) | 107.4 |
| 3' (C) | 147.2 |
| 4' (C) | 137.1 |
| 5' (C) | 147.2 |
| 6' (CH) | 107.4 |
| 7' (CH) | 137.9 |
| 8' (C) | 125.7 |
| 9' (C) | 172.5 |
| 3a (CH3) | 56.4 |
| 4a (CH3) | 60.9 |
| 5a (CH3) | 56.4 |
| 3'a (CH3) | 56.1 |
| 5'a (CH3) | 56.1 |
