Spektraris NMR
Piperarborenine D
Common Name: Piperarborenine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H36N2O9/c1-40-21-13-12-19(16-22(21)41-2)27-29(32(38)34-14-8-6-10-25(34)36)28(30(27)33(39)35-15-9-7-11-26(35)37)20-17-23(42-3)31(44-5)24(18-20)43-4/h6-7,10-13,16-18,27-30H,8-9,14-15H2,1-5H3/t27-,28+,29-,30+
InChIKey: InChIKey=NVDXDIYPYKVHGV-RLQUZOAZSA-N
Formula: C33H36N2O9
Molecular Weight: 604.648282
Exact Mass: 604.242081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsai, I.L., Lee, F.P., Wu, C.C., Duh, C.Y., Ishikawa, T., Chen, J.J., Chen, Y.C., Seki, H., Chen, I.S. Planta Med (2005) 71, 535-42
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclobutanes; 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) | 134.7 |
| 2 (CH) | 105.5 |
| 3 (C) | 152.6 |
| 4 (C) | 136.3 |
| 5 (C) | 152.6 |
| 6 (CH) | 105.5 |
| 7 (CH) | 45.9 |
| 8 (CH) | 48.5 |
| 9 (C) | 175.2 |
| 1' (C) | 131.6 |
| 2' (CH) | 112 |
| 3' (C) | 147.4 |
| 4' (C) | 148.4 |
| 5' (CH) | 110.7 |
| 6' (CH) | 119.9 |
| 7' (CH) | 45.7 |
| 8' (CH) | 48.1 |
| 9' (C) | 175.1 |
| 2'' (C) | 164.9 |
| 3'' (CH) | 125.7 |
| 4'' (CH) | 145.1 |
| 5'' (CH2) | 24.5 |
| 6'' (CH2) | 41.1 |
| 2''' (C) | 164.8 |
| 3''' (CH) | 125.7 |
| 4''' (CH) | 145 |
| 5''' (CH2) | 24.5 |
| 6''' (CH2) | 41.1 |
| 3a (CH3) | 55.9 |
| 4a (CH3) | 60.7 |
| 5a (CH3) | 55.8 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 56.1 |
