Spektraris NMR
3-[3-Methoxy-4-[(1S,2S)-1-(hydroxymethyl)-2-hydroxy-2-[3-methoxy-4-(beta-D-glucopyranosyloxy)phenyl]ethoxy]phenyl]propane-1-ol
![3-[3-Methoxy-4-[(1S,2S)-1-(hydroxymethyl)-2-hydroxy-2-[3-methoxy-4-(beta-D-glucopyranosyloxy)phenyl]ethoxy]phenyl]propane-1-ol](/nmr/static/nmr/svg/17255.svg)
Common Name: 3-[3-Methoxy-4-[(1S,2S)-1-(hydroxymethyl)-2-hydroxy-2-[3-methoxy-4-(beta-D-glucopyranosyloxy)phenyl]ethoxy]phenyl]propane-1-ol
Synonyms: 3-[3-Methoxy-4-[(1S,2S)-1-(hydroxymethyl)-2-hydroxy-2-[3-methoxy-4-(beta-D-glucopyranosyloxy)phenyl]ethoxy]phenyl]propane-1-ol
CAS Registry Number:
InChI: InChI=1S/C26H36O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h5-8,10-11,20-33H,3-4,9,12-13H2,1-2H3/t20-,21+,22-,23+,24-,25+,26+/m0/s1
InChIKey: InChIKey=VHHJRIJKJTYYIZ-HKSLGXITSA-N
Formula: C26H36O12
Molecular Weight: 540.55786
Exact Mass: 540.220677
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Huo, C.H., Liang, H., Zhao, Y.Y., Wang, B., Zhang, Q.Y. Phytochemistry (2008) 69, 788-95
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Oxyneolignans; 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) | 135.76 |
| 2 (CH) | 111.19 |
| 3 (C) | 148.28 |
| 4 (C) | 145.44 |
| 5 (CH) | 114.48 |
| 6 (CH) | 118.68 |
| 7 (CH) | 70.66 |
| 8 (CH) | 84.47 |
| 9 (CH2) | 59.95 |
| 1' (C) | 135.25 |
| 2' (CH) | 112.73 |
| 3' (C) | 149.51 |
| 4' (C) | 146.14 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.13 |
| 7' (CH2) | 31.28 |
| 8' (CH2) | 34.49 |
| 9' (CH2) | 60.16 |
| 1'' (CH) | 100.04 |
| 2'' (CH) | 73.24 |
| 3'' (CH) | 76.97 |
| 4'' (CH) | 69.63 |
| 5'' (CH) | 76.87 |
| 6'' (CH2) | 60.6 |
| 3a (CH3) | 55.44 |
| 3'a (CH3) | 55.56 |
