Spektraris NMR
Futokadsurin C
Common Name: Futokadsurin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O5/c1-12-13(2)21(15-6-8-17-19(10-15)25-11-24-17)26-20(12)14-5-7-16(22-3)18(9-14)23-4/h5-10,12-13,20-21H,11H2,1-4H3/t12-,13+,20-,21+/m0/s1
InChIKey: InChIKey=HSMDOSKNXLVXIP-WVGOSAFVSA-N
Formula: C21H24O5
Molecular Weight: 356.413057
Exact Mass: 356.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konishi, T., Konoshima, T., Daikonya, A., Kitanaka, S. Chem Pharm Bull (2005) 53, 121-4
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-Monoepoxylignans; 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) | 136.2 |
| 2 (CH) | 106.8 |
| 3 (C) | 147.8 |
| 4 (C) | 147 |
| 5 (CH) | 107.9 |
| 6 (CH) | 119.8 |
| 7 (CH) | 87.4 |
| 8 (CH) | 44.5 |
| 9 (CH3) | 12.78 |
| 1' (C) | 134.8 |
| 2' (CH) | 110 |
| 3' (C) | 149.1 |
| 4' (C) | 148.6 |
| 5' (CH) | 111.3 |
| 6' (CH) | 118.6 |
| 7' (CH) | 87.4 |
| 8' (CH) | 44.4 |
| 9' (CH3) | 12.85 |
| 3a (CH2) | 100.9 |
| 3'a (CH3) | 55.9 |
| 4'a (CH3) | 56 |
