Spektraris NMR
Piperarborenine E
Common Name: Piperarborenine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H32N2O9/c1-39-20-11-10-18(14-21(20)40-2)26-28(31(37)33-12-6-4-8-24(33)35)27(29(26)32(38)34-13-7-5-9-25(34)36)19-15-22(41-3)30-23(16-19)42-17-43-30/h4-5,8-11,14-16,26-29H,6-7,12-13,17H2,1-3H3/t26-,27+,28-,29+
InChIKey: InChIKey=RIXNFSOJXQSBJT-FXCIUYFGSA-N
Formula: C32H32N2O9
Molecular Weight: 588.605783
Exact Mass: 588.210781
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) | 131.6 |
| 2 (CH) | 111.7 |
| 3 (C) | 148.4 |
| 4 (C) | 147.3 |
| 5 (CH) | 119.9 |
| 6 (CH) | 110.6 |
| 7 (CH) | 45.8 |
| 8 (CH) | 48.5 |
| 9 (C) | 175.2 |
| 1' (C) | 134 |
| 2' (CH) | 107.6 |
| 3' (C) | 148.3 |
| 4' (C) | 133.5 |
| 5' (C) | 143 |
| 6' (CH) | 102.3 |
| 7' (CH) | 45.6 |
| 8' (CH) | 48.4 |
| 9' (C) | 175.1 |
| 2'' (C) | 164.8 |
| 3'' (CH) | 125.7 |
| 4'' (CH) | 145 |
| 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) | 55.6 |
| 4a (CH3) | 55.7 |
| 3'a (CH3) | 56.3 |
| 4'a (CH2) | 101.1 |
