Spektraris NMR
(8R,7'S,8'R)-5,5'-Dimethoxylariciresinol 9'-O-β -D-(6-O-Z-4-Hydroxy-3-methoxycinnamoyl)-glucopyranoside
Common Name: (8R,7'S,8'R)-5,5'-Dimethoxylariciresinol 9'-O-β -D-(6-O-Z-4-Hydroxy-3-methoxycinnamoyl)-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H46O16/c1-46-25-11-19(6-8-24(25)39)7-9-31(40)51-18-30-34(43)35(44)36(45)38(54-30)53-17-23-22(10-20-12-26(47-2)32(41)27(13-20)48-3)16-52-37(23)21-14-28(49-4)33(42)29(15-21)50-5/h6-9,11-15,22-23,30,34-39,41-45H,10,16-18H2,1-5H3/b9-7-/t22-,23-,30+,34+,35-,36+,37+,38+/m0/s1
InChIKey: InChIKey=WQGFZONMTGYTJZ-MJRUUCJPSA-N
Formula: C38H46O16
Molecular Weight: 758.763718
Exact Mass: 758.278585
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Warashina, T., Shikata, K., Miyase, T., Fujii, S., Noro, T. Chem Pharm Bull (2008) 56, 1159-63
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) | 107.3 |
| 3 (C) | 149.2 |
| 4 (C) | 136.1 |
| 5 (C) | 149.2 |
| 6 (CH) | 107.3 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 43.6 |
| 9 (CH2) | 73.1 |
| 1' (C) | 134.3 |
| 2' (CH) | 104.7 |
| 3' (C) | 149.2 |
| 4' (C) | 137 |
| 5' (C) | 149.2 |
| 6' (CH) | 104.7 |
| 7' (CH) | 83.5 |
| 8' (CH) | 51.3 |
| 9' (CH2) | 68.3 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 75.6 |
| 6'' (CH2) | 64.6 |
| 1''' (C) | 128.1 |
| 2''' (CH) | 115.3 |
| 3''' (C) | 148.4 |
| 4''' (C) | 149.6 |
| 5''' (CH) | 115.8 |
| 6''' (CH) | 126.7 |
| 7''' (CH) | 145.5 |
| 8''' (CH) | 116.2 |
| 9''' (C) | 168.1 |
| 3a (CH3) | 56.5 |
| 5a (CH3) | 56.5 |
| 3'a (CH3) | 56.5 |
| 5'a (CH3) | 56.5 |
| 3'''a (CH3) | 56 |
