Spektraris NMR
[(1S)-1alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3alpha-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2alpha-yl]methyl beta-D-glucopyranoside
![[(1S)-1alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3alpha-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2alpha-yl]methyl beta-D-glucopyranoside](/nmr/static/nmr/svg/20327.svg)
Common Name: [(1S)-1alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3alpha-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2alpha-yl]methyl beta-D-glucopyranoside
Synonyms: [(1S)-1alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3alpha-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2alpha-yl]methyl beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19+,20+,23+,25-,26+,28+/m0/s1
InChIKey: InChIKey=PQQRNPDHSJDAGV-OOMNAYAOSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wangteeraprasert, R., Likhitwitayawuid, K. Helv Chim Acta (2009) 92, 1217-23
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 130.2 |
| 2 (C) | 126.4 |
| 3 (C) | 147.6 |
| 4 (C) | 138.9 |
| 5 (C) | 148.6 |
| 6 (CH) | 107.9 |
| 7 (CH2) | 33.8 |
| 8 (CH) | 40.6 |
| 9 (CH2) | 66.2 |
| 1' (C) | 139.3 |
| 2' (CH) | 106.9 |
| 3' (C) | 149 |
| 4' (C) | 134.5 |
| 5' (C) | 149 |
| 6' (CH) | 106.9 |
| 7' (CH) | 42.7 |
| 8' (CH) | 46.7 |
| 9' (CH2) | 71.5 |
| 1'' (CH) | 104.8 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 62.8 |
| 3a (CH3) | 60.2 |
| 5a (CH3) | 56.6 |
| 3'a (CH3) | 56.8 |
| 5'a (CH3) | 56.8 |
