Spektraris NMR
4-Ketopinoresinol
Common Name: 4-Ketopinoresinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-19,21-22H,9H2,1-2H3/t12-,17-,18+,19+/m0/s1
InChIKey: InChIKey=JOVBAVJQHJYOID-MDVLYUJXSA-N
Formula: C20H20O7
Molecular Weight: 372.369368
Exact Mass: 372.120903
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Moon, S.S., Rahman, A.A., Kim, J.Y., Kee, S.H. Bioorg Med Chem (2008) 16, 7264-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Bisepoxylignans; 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 |
| 2 (CH) | 110.6 |
| 3 (C) | 149.3 |
| 4 (C) | 148.1 |
| 5 (CH) | 116.4 |
| 6 (CH) | 119.8 |
| 7 (CH) | 87.2 |
| 8 (CH) | 54.6 |
| 9 (CH2) | 73.9 |
| 1' (C) | 132.4 |
| 2' (CH) | 110.7 |
| 3' (C) | 149.1 |
| 4' (C) | 147.4 |
| 5' (CH) | 116.1 |
| 6' (CH) | 119.5 |
| 7' (CH) | 85.1 |
| 8' (CH) | 55.3 |
| 9' (C) | 179.5 |
| 3a (CH3) | 56.6 |
| 3'a (CH3) | 56.5 |
