Spektraris NMR
Arctigenin
Common Name: Arctigenin
Synonyms: Arctigenin
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
InChIKey: InChIKey=NQWVSMVXKMHKTF-JKSUJKDBSA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Umehara, K., Sugawa, A., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 1774-9
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 130.3 |
| 2 (CH) | 111.8 |
| 3 (C) | 146.5 |
| 4 (C) | 144.4 |
| 5 (CH) | 114 |
| 6 (CH) | 121.9 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 46.3 |
| 9 (C) | 178.5 |
| 1' (C) | 129.3 |
| 2' (CH) | 111.3 |
| 3' (C) | 148.8 |
| 4' (C) | 147.6 |
| 5' (CH) | 111.5 |
| 6' (CH) | 120.4 |
| 7' (CH2) | 37.9 |
| 8' (CH) | 40.7 |
| 9' (CH2) | 71 |
| 3a (CH3) | 55.8 |
| 3'a (CH3) | 55.8 |
| 4'a (CH3) | 55.8 |
