Spektraris NMR
(+)-Isolariciresinol 3-glucoside
Common Name: (+)-Isolariciresinol 3-glucoside
Synonyms: (+)-Isolariciresinol 3-glucoside
CAS Registry Number:
InChI: InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(9-27)16(22)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3/t14-,16-,21+,22-,23+,24-,25+,26+/m0/s1
InChIKey: InChIKey=AHYOMNWKYGMYMB-QBCFYRCNSA-N
Formula: C26H34O11
Molecular Weight: 522.542573
Exact Mass: 522.210112
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Latte, K.P., Kaloga, M., Schafer, A., Kolodziej, H. Phytochemistry (2008) 69, 820-6
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) | 129.1 |
| 2 (C) | 134.4 |
| 3 (CH) | 117.4 |
| 4 (C) | 145.8 |
| 5 (C) | 147.2 |
| 6 (CH) | 112.4 |
| 7 (CH2) | 33.9 |
| 8 (CH) | 39.5 |
| 9 (CH2) | 65.2 |
| 1' (C) | 138.7 |
| 2' (CH) | 114.3 |
| 3' (C) | 148.9 |
| 4' (C) | 145.2 |
| 5' (CH) | 116.1 |
| 6' (CH) | 123.1 |
| 7' (CH) | 47.9 |
| 8' (CH) | 45.9 |
| 9' (CH2) | 69.5 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 62.8 |
| 5a (CH3) | 56.5 |
| 3'a (CH3) | 56.4 |
