Spektraris NMR
(+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
Common Name: (+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
Synonyms: (+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C34H48O18/c1-45-17-7-14(8-18(46-2)30(17)51-33-28(43)26(41)24(39)20(11-37)49-33)22-16(10-36)15(9-35)5-13-6-19(47-3)31(32(48-4)23(13)22)52-34-29(44)27(42)25(40)21(12-38)50-34/h6-8,15-16,20-22,24-29,33-44H,5,9-12H2,1-4H3/t15-,16-,20+,21+,22+,24+,25+,26-,27-,28+,29+,33-,34-/m0/s1
InChIKey: InChIKey=WDBFWRZVSDUFTE-AUWKFTQZSA-N
Formula: C34H48O18
Molecular Weight: 744.735465
Exact Mass: 744.284065
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aziz Ur, R., Malik, A., Riaz, N., Ahmad, H., Nawaz, S.A., Choudhary, M.I. Chem Pharm Bull (2005) 53, 263-6
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) | 134.5 |
| 2 (C) | 125.8 |
| 3 (C) | 151.2 |
| 4 (C) | 136.4 |
| 5 (C) | 150.6 |
| 6 (CH) | 107.9 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 40.1 |
| 9 (CH2) | 63.5 |
| 1' (C) | 137.5 |
| 2' (CH) | 107.1 |
| 3' (C) | 152.9 |
| 4' (C) | 134.2 |
| 5' (C) | 152.9 |
| 6' (CH) | 107.1 |
| 7' (CH) | 40.7 |
| 8' (CH) | 47.1 |
| 9' (CH2) | 64.3 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.7 |
| 1''' (CH) | 102 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 77.7 |
| 4''' (CH) | 71.2 |
| 5''' (CH) | 77.9 |
| 6''' (CH2) | 62.6 |
| 3a (CH3) | 56.2 |
| 5a (CH3) | 60.2 |
| 3'a (CH3) | 56.9 |
| 5'a (CH3) | 56.9 |
