Spektraris NMR
(3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(4-acetoxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
Common Name: (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(4-acetoxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
Synonyms: (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(4-acetoxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
CAS Registry Number:
InChI: InChI=1S/C23H26O7/c1-14(24)30-20-8-6-16(12-22(20)28-4)10-18-17(13-29-23(18)25)9-15-5-7-19(26-2)21(11-15)27-3/h5-8,11-12,17-18H,9-10,13H2,1-4H3/t17-,18+/m0/s1
InChIKey: InChIKey=HKCGEUVLMDJSGX-ZWKOTPCHSA-N
Formula: C23H26O7
Molecular Weight: 414.44922
Exact Mass: 414.167853
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) | 136.5 |
| 2 (CH) | 113.3 |
| 3 (C) | 151.2 |
| 4 (C) | 138.7 |
| 5 (CH) | 122.6 |
| 6 (CH) | 121.3 |
| 7 (CH2) | 34.6 |
| 8 (CH) | 46.3 |
| 9 (C) | 178.3 |
| 1' (C) | 130.3 |
| 2' (CH) | 111.6 |
| 3' (C) | 149.1 |
| 4' (C) | 147.9 |
| 5' (CH) | 112 |
| 6' (CH) | 120.6 |
| 7' (CH2) | 38 |
| 8' (CH) | 41 |
| 9' (CH2) | 71.1 |
| 3a (CH3) | 55.8 |
| 4a (C) | 168.7 |
| 4b (CH3) | 20.5 |
| 3'a (CH3) | 55.8 |
| 4'a (CH3) | 55.8 |
