Spektraris NMR
(+)-Lyoniresin-4-yl glucoside
Common Name: (+)-Lyoniresin-4-yl glucoside
Synonyms: (+)-Lyoniresin-4-yl glucoside
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-36-16-6-13(7-17(37-2)22(16)32)20-15(10-30)14(9-29)5-12-8-18(38-3)26(27(39-4)21(12)20)41-28-25(35)24(34)23(33)19(11-31)40-28/h6-8,14-15,19-20,23-25,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,24-,25+,28-/m0/s1
InChIKey: InChIKey=TYCVVKGFKLGEKY-SAVNYADSSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Su, D.M., Wang, Y.H., Yu, S.S., Yu, D.Q., Hu, Y.C., Tang, W.Z., Liu, G.T., Wang, W.J. Chem Biodivers (2007) 4, 2852-62
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) | 136.4 |
| 2 (C) | 126.8 |
| 3 (C) | 153.1 |
| 4 (C) | 138.6 |
| 5 (C) | 153.1 |
| 6 (CH) | 109.3 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 40.6 |
| 9 (CH2) | 66.6 |
| 1' (C) | 138.8 |
| 2' (CH) | 106.8 |
| 3' (C) | 149.1 |
| 4' (C) | 134.7 |
| 5' (C) | 149.1 |
| 6' (CH) | 106.8 |
| 7' (CH) | 42.1 |
| 8' (CH) | 48.8 |
| 9' (CH2) | 64.1 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.4 |
| 3a (CH3) | 61.6 |
| 5a (CH3) | 56.9 |
| 3'a (CH3) | 56.8 |
| 5'a (CH3) | 56.8 |
