Spektraris NMR
(+)-Lyoniresin-4’-yl β-glucopyranoside
Common Name: (+)-Lyoniresin-4’-yl β-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-36-16-6-12-5-14(9-29)15(10-30)20(21(12)27(39-4)23(16)33)13-7-17(37-2)26(18(8-13)38-3)41-28-25(35)24(34)22(32)19(11-31)40-28/h6-8,14-15,19-20,22,24-25,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,22+,24-,25+,28-/m0/s1
InChIKey: InChIKey=YQKVPSIKEAZDCN-ZMXASLKBSA-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) | 130.2 |
| 2 (C) | 125.8 |
| 3 (C) | 147.6 |
| 4 (C) | 138.9 |
| 5 (C) | 148.8 |
| 6 (CH) | 107.7 |
| 7 (CH2) | 33.8 |
| 8 (CH) | 40.8 |
| 9 (CH2) | 66.5 |
| 1' (C) | 145.7 |
| 2' (CH) | 107.6 |
| 3' (C) | 153.8 |
| 4' (C) | 134.3 |
| 5' (C) | 153.8 |
| 6' (CH) | 107.6 |
| 7' (CH) | 42.7 |
| 8' (CH) | 48.5 |
| 9' (CH2) | 63.8 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.5 |
| 3a (CH3) | 60 |
| 5a (CH3) | 56.5 |
| 3'a (CH3) | 57 |
| 5'a (CH3) | 57 |
