Spektraris NMR
Justin B
Common Name: Justin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O9/c1-15(26)31-12-19(7-17-5-6-21-22(9-17)34-14-33-21)20(13-32-16(2)27)8-18-10-23(29-3)25(28)24(11-18)30-4/h5-6,9-11,19-20,28H,7-8,12-14H2,1-4H3/t19-,20-/m0/s1
InChIKey: InChIKey=MUMXMGJVVACIFK-PMACEKPBSA-N
Formula: C25H30O9
Molecular Weight: 474.501264
Exact Mass: 474.188983
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) | 133 |
| 2 (CH) | 109.1 |
| 3 (C) | 147.6 |
| 4 (C) | 145.8 |
| 5 (CH) | 108 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 35.4 |
| 8 (CH) | 39.7 |
| 9 (CH2) | 64.3 |
| 1' (C) | 130.5 |
| 2' (CH) | 105.4 |
| 3' (C) | 146.9 |
| 4' (C) | 133.3 |
| 5' (C) | 146.9 |
| 6' (CH) | 105.4 |
| 7' (CH2) | 35 |
| 8' (CH) | 39.6 |
| 9' (CH2) | 64.1 |
| 3a (CH2) | 100.8 |
| 9a (C) | 170.9 |
| 9b (CH3) | 20.9 |
| 3'a (CH3) | 56.1 |
| 5'a (CH3) | 56.1 |
| 9'a (C) | 170.9 |
| 9'b (CH3) | 20.9 |
