Spektraris NMR
Justin A
Common Name: Justin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O8/c1-15(25)29-12-19(8-17-4-6-21(27)23(10-17)28-3)20(13-30-16(2)26)9-18-5-7-22-24(11-18)32-14-31-22/h4-7,10-11,19-20,27H,8-9,12-14H2,1-3H3/t19-,20-/m0/s1
InChIKey: InChIKey=OHTVIXMKRHHBBH-PMACEKPBSA-N
Formula: C24H28O8
Molecular Weight: 444.475242
Exact Mass: 444.178418
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) | 133.4 |
| 2 (CH) | 109.1 |
| 3 (C) | 147.6 |
| 4 (C) | 146.4 |
| 5 (CH) | 114.2 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 34.9 |
| 8 (CH) | 39.8 |
| 9 (CH2) | 64.2 |
| 1' (C) | 131.4 |
| 2' (CH) | 110.8 |
| 3' (C) | 145.8 |
| 4' (C) | 143.9 |
| 5' (CH) | 111.1 |
| 6' (CH) | 121.6 |
| 7' (CH2) | 34.9 |
| 8' (CH) | 39.8 |
| 9' (CH2) | 64.3 |
| 3a (CH2) | 100.8 |
| 9a (C) | 171 |
| 9b (CH3) | 21 |
| 3'a (CH3) | 55.8 |
| 9'a (C) | 171 |
| 9'b (CH3) | 21 |
