Spektraris NMR
7S,7'S,8R,8'R-Icariol A2-9-O-β-D-glucopyranoside
Common Name: 7S,7'S,8R,8'R-Icariol A2-9-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O14/c1-36-16-5-12(6-17(37-2)21(16)31)26-14(9-29)15(11-40-28-25(35)24(34)23(33)20(10-30)41-28)27(42-26)13-7-18(38-3)22(32)19(8-13)39-4/h5-8,14-15,20,23-35H,9-11H2,1-4H3/t14-,15-,20+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=FHFLZYGQOCDSKY-WFJJRKFVSA-N
Formula: C28H38O14
Molecular Weight: 598.594023
Exact Mass: 598.226156
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yamauchi, H., Kakuda, R., Yaoita, Y., Machida, K., Kikuchi, M. Chem Pharm Bull (2007) 55, 346-7
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-Monoepoxylignans; 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) | 134.2 |
| 2 (CH) | 104.9 |
| 3 (C) | 149.3 |
| 4 (C) | 136.2 |
| 5 (C) | 149.3 |
| 6 (CH) | 104.9 |
| 7 (CH) | 84.6 |
| 8 (CH) | 54.7 |
| 9 (CH2) | 70.1 |
| 1' (C) | 134.3 |
| 2' (CH) | 104.9 |
| 3' (C) | 149.3 |
| 4' (C) | 136.2 |
| 5' (C) | 149.3 |
| 6' (CH) | 104.9 |
| 7' (CH) | 84.4 |
| 8' (CH) | 51.9 |
| 9' (CH2) | 62.7 |
| 1'' (CH) | 104.8 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 61.2 |
| 3a (CH3) | 56.9 |
| 5a (CH3) | 56.9 |
| 3'a (CH3) | 56.9 |
| 5'a (CH3) | 56.9 |
