Spektraris NMR
ZINC97971705
Common Name: ZINC97971705
Synonyms: ZINC97971705
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-14-22(29)24(31)25(32)26(36-14)35-10-4-5-15-6-9-18(20(11-15)34-3)37-21(13-27)23(30)16-7-8-17(28)19(12-16)33-2/h6-9,11-12,14,21-32H,4-5,10,13H2,1-3H3/t14-,21-,22-,23+,24+,25+,26+/m0/s1
InChIKey: InChIKey=HZGGHVGIXDRDDH-UOMFZXEISA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M., Yesilada, E. J Ethnopharmacol (2006) 108, 371-8
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Oxyneolignans; 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) | 111.9 |
| 3 (C) | 148.7 |
| 4 (C) | 147 |
| 5 (CH) | 115.7 |
| 6 (CH) | 121 |
| 7 (CH) | 74.1 |
| 8 (CH) | 86.6 |
| 9 (CH2) | 62.2 |
| 1' (C) | 137.8 |
| 2' (CH) | 114.1 |
| 3' (C) | 151.9 |
| 4' (C) | 147.3 |
| 5' (CH) | 119.6 |
| 6' (CH) | 121.9 |
| 7' (CH2) | 33 |
| 8' (CH2) | 32.4 |
| 9' (CH2) | 67.7 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.3 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.8 |
| 6'' (CH3) | 18 |
| 3a (CH3) | 56.5 |
| 3'a (CH3) | 56.4 |
