Spektraris NMR
7,7'-Bis-(4-hydroxy-3,5-dimethoxyphenyl)-8,8'-dihydroxymethyl-tetrahydrofuran-4-O-β-D-glucopyranoside
Common Name: 7,7'-Bis-(4-hydroxy-3,5-dimethoxyphenyl)-8,8'-dihydroxymethyl-tetrahydrofuran-4-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O14/c1-36-16-5-12(6-17(37-2)21(16)32)25-14(9-29)15(10-30)26(41-25)13-7-18(38-3)27(19(8-13)39-4)42-28-24(35)23(34)22(33)20(11-31)40-28/h5-8,14-15,20,22-26,28-35H,9-11H2,1-4H3/t14-,15-,20-,22-,23+,24-,25-,26-,28+/m1/s1
InChIKey: InChIKey=JNTVMSUGCQQJNZ-UVUHDAHQSA-N
Formula: C28H38O14
Molecular Weight: 598.594023
Exact Mass: 598.226156
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gongora, L., Manez, S., Giner, R.M., Carmen Recio, M., Gray, A.I., Rios, J.L. Phytochemistry (2002) 59, 857-60
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) | 139.9 |
| 2 (CH) | 105.2 |
| 3 (C) | 154.8 |
| 4 (C) | 135.9 |
| 5 (C) | 154.8 |
| 6 (CH) | 105.2 |
| 7 (CH) | 87.6 |
| 8 (CH) | 55.9 |
| 9 (CH2) | 73.2 |
| 1' (C) | 133.4 |
| 2' (CH) | 104.8 |
| 3' (C) | 149.7 |
| 4' (C) | 136.6 |
| 5' (C) | 149.7 |
| 6' (CH) | 104.8 |
| 7' (CH) | 88 |
| 8' (CH) | 55.7 |
| 9' (CH2) | 73.3 |
| 1'' (CH) | 105.7 |
| 2'' (CH) | 76.1 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 62.9 |
| 3a (CH3) | 57.2 |
| 5a (CH3) | 57.4 |
| 3'a (CH3) | 57.2 |
| 5'a (CH3) | 57.4 |
