Spektraris NMR
Justin C
Common Name: Justin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/c1-16(27)34-14-20(9-18-7-8-22(30-3)23(11-18)31-4)21(15-35-17(2)28)10-19-12-24(32-5)26(29)25(13-19)33-6/h7-8,11-13,20-21,29H,9-10,14-15H2,1-6H3/t20-,21-/m0/s1
InChIKey: InChIKey=JSFBCUIUOOCNBJ-SFTDATJTSA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.C., Hsin, W.C., Huang, Y.L. J Nat Prod (1998) 61, 227-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 132.1 |
| 2 (CH) | 111.9 |
| 3 (C) | 148.8 |
| 4 (C) | 147.3 |
| 5 (CH) | 111 |
| 6 (CH) | 120.9 |
| 7 (CH2) | 34.9 |
| 8 (CH) | 39.5 |
| 9 (CH2) | 64.3 |
| 1' (C) | 130.6 |
| 2' (CH) | 105.3 |
| 3' (C) | 146.8 |
| 4' (C) | 132.9 |
| 5' (C) | 146.8 |
| 6' (CH) | 105.3 |
| 7' (CH2) | 35.5 |
| 8' (CH) | 39.4 |
| 9' (CH2) | 64.3 |
| 3a (CH3) | 55.7 |
| 4a (CH3) | 55.7 |
| 9a (C) | 170.9 |
| 9b (CH3) | 21 |
| 3'a (CH3) | 56.1 |
| 5'a (CH3) | 56.1 |
| 9'a (C) | 170.9 |
| 9'b (CH3) | 21 |
