Spektraris NMR
8R, 80R-matairesinol 4-O-b-D-xylopyranosyl-(1-->2)-O-b-D-glucopy- ranoside
Common Name: 8R, 80R-matairesinol 4-O-b-D-xylopyranosyl-(1-->2)-O-b-D-glucopy- ranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O15/c1-40-21-9-14(3-5-18(21)33)7-16-12-42-29(39)17(16)8-15-4-6-20(22(10-15)41-2)44-31-28(26(37)25(36)23(11-32)45-31)46-30-27(38)24(35)19(34)13-43-30/h3-6,9-10,16-17,19,23-28,30-38H,7-8,11-13H2,1-2H3/t16-,17+,19+,23+,24-,25+,26-,27+,28+,30-,31+/m0/s1
InChIKey: InChIKey=SIRAEIYSZAJAPV-UEAIZCMLSA-N
Formula: C31H40O15
Molecular Weight: 652.641517
Exact Mass: 652.236721
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 : 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) | 129.52 |
| 2 (CH) | 112.69 |
| 3 (C) | 147.49 |
| 4 (C) | 144.92 |
| 5 (CH) | 115.39 |
| 6 (CH) | 120.76 |
| 7 (CH2) | 36.82 |
| 8 (CH) | 40.76 |
| 9 (CH2) | 70.66 |
| 1' (C) | 131.76 |
| 2' (CH) | 114.14 |
| 3' (C) | 148.58 |
| 4' (C) | 145.19 |
| 5' (CH) | 114.75 |
| 6' (CH) | 121.35 |
| 7' (CH2) | 33.35 |
| 8' (CH) | 45.52 |
| 9' (C) | 178.47 |
| 1'' (CH) | 98.58 |
| 2'' (CH) | 81.38 |
| 3'' (CH) | 76.17 |
| 4'' (CH) | 69.32 |
| 5'' (CH) | 76.71 |
| 6'' (CH2) | 60.47 |
| 1''' (CH) | 104.3 |
| 2''' (CH) | 74.27 |
| 3''' (CH) | 75.79 |
| 4''' (CH) | 69.51 |
| 5''' (CH2) | 65.64 |
| 3a (CH3) | 55.52 |
| 3'a (CH3) | 55.91 |
