Spektraris NMR
(+)-7,8-Didehydroarctigenin
Common Name: (+)-7,8-Didehydroarctigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/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/h4-7,9-11,15,22H,8,12H2,1-3H3/b16-9+/t15-/m1/s1
InChIKey: InChIKey=MHLQLQUSZZCRFB-INQNZLQJSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Matsumoto, T., Hosono-Nishiyama, K., Yamada, H. Planta Med (2006) 72, 276-8
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) | 130.44 |
| 2 (CH) | 112.32 |
| 3 (C) | 149.15 |
| 4 (C) | 148.13 |
| 5 (CH) | 111.55 |
| 6 (CH) | 120.7 |
| 7 (CH2) | 37.32 |
| 8 (CH) | 39.7 |
| 9 (CH2) | 69.7 |
| 1' (C) | 126.55 |
| 2' (CH) | 112.69 |
| 3' (C) | 147.61 |
| 4' (C) | 146.72 |
| 5' (CH) | 114.96 |
| 6' (CH) | 123.93 |
| 7' (CH) | 137.42 |
| 8' (C) | 125.66 |
| 9' (C) | 172.68 |
| 3a (CH3) | 56 |
| 4a (CH3) | 55.94 |
| 3'a (CH3) | 55.92 |
