Spektraris NMR
Piperarborenine C
Common Name: Piperarborenine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H34N2O10/c1-40-20-13-18(14-21(41-2)30(20)43-4)26-28(32(38)34-11-7-5-9-24(34)36)27(29(26)33(39)35-12-8-6-10-25(35)37)19-15-22(42-3)31-23(16-19)44-17-45-31/h5-6,9-10,13-16,26-29H,7-8,11-12,17H2,1-4H3/t26-,27+,28-,29+
InChIKey: InChIKey=RANXPERGLCULGS-FXCIUYFGSA-N
Formula: C33H34N2O10
Molecular Weight: 618.631806
Exact Mass: 618.221345
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) | 134.6 |
| 2 (CH) | 105.4 |
| 3 (C) | 152.6 |
| 4 (C) | 136.3 |
| 5 (C) | 152.6 |
| 6 (CH) | 105.4 |
| 7 (CH) | 46 |
| 8 (CH) | 48.5 |
| 9 (C) | 175 |
| 1' (C) | 133.8 |
| 2' (CH) | 107.7 |
| 3' (C) | 143.1 |
| 4' (C) | 133.5 |
| 5' (C) | 148.8 |
| 6' (CH) | 102.3 |
| 7' (CH) | 45.9 |
| 8' (CH) | 48.1 |
| 9' (C) | 174.9 |
| 2'' (C) | 164.8 |
| 3'' (CH) | 125.7 |
| 4'' (CH) | 145.1 |
| 5'' (CH2) | 24.5 |
| 6'' (CH2) | 41.1 |
| 2''' (C) | 164.7 |
| 3''' (CH) | 125.7 |
| 4''' (CH) | 145.1 |
| 5''' (CH2) | 24.5 |
| 6''' (CH2) | 41.1 |
| 3a (CH3) | 55.9 |
| 4a (CH3) | 60.7 |
| 5a (CH3) | 55.9 |
| 3'a (CH3) | 56.4 |
| 4'a (CH2) | 101.1 |
