Spektraris NMR
[(3R,4R,5S)-4-(Hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)tetrahydro-3-furanyl](3,4,5-trimethoxyphenyl)methanone
methanone](/nmr/static/nmr/svg/18366.svg)
Common Name: [(3R,4R,5S)-4-(Hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)tetrahydro-3-furanyl](3,4,5-trimethoxyphenyl)methanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O9/c1-27-17-7-13(8-18(28-2)23(17)31-5)21(26)16-12-33-22(15(16)11-25)14-9-19(29-3)24(32-6)20(10-14)30-4/h7-10,15-16,22,25H,11-12H2,1-6H3/t15-,16-,22+/m0/s1
InChIKey: InChIKey=OSSWRYDRMYTQHI-PONJGIIJSA-N
Formula: C24H30O9
Molecular Weight: 462.490528
Exact Mass: 462.188983
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vuckovic, I., Trajkovic, V., Macura, S., Tesevic, V., Janackovic, P., Milosavljevic, S. Phytother Res (2007) 21, 790-2
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-9-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) | 131.7 |
| 2 (CH) | 106.1 |
| 3 (C) | 153.2 |
| 4 (C) | 143 |
| 5 (C) | 153.2 |
| 6 (CH) | 106.1 |
| 7 (C) | 198 |
| 8 (CH) | 49.7 |
| 9 (CH2) | 70.7 |
| 1' (C) | 136.1 |
| 2' (CH) | 103.6 |
| 3' (C) | 153.4 |
| 4' (C) | 143 |
| 5' (C) | 153.4 |
| 6' (CH) | 103.6 |
| 7' (CH) | 83.9 |
| 8' (CH) | 52.3 |
| 9' (CH2) | 61.4 |
| 3a (CH3) | 56.2 |
| 4a (CH3) | 60.8 |
| 5a (CH3) | 56.2 |
| 3'a (CH3) | 56.4 |
| 4'a (CH3) | 61 |
| 5'a (CH3) | 56.4 |
