Spektraris NMR
Berchemol 9-O-α-rhamnoside
Common Name: Berchemol 9-O-α-rhamnoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O11/c1-13-21(29)22(30)23(31)25(37-13)36-12-26(32)16(8-14-4-6-17(27)19(9-14)33-2)11-35-24(26)15-5-7-18(28)20(10-15)34-3/h4-7,9-10,13,16,21-25,27-32H,8,11-12H2,1-3H3/t13-,16-,21-,22+,23+,24+,25+,26+/m0/s1
InChIKey: InChIKey=BTVSZVQFBPVHKU-OEDYLYRUSA-N
Formula: C26H34O11
Molecular Weight: 522.542573
Exact Mass: 522.210112
NMR Solvent: CDCl3
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 : Lignans, Group : 7-9-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) | 133.1 |
| 2 (CH) | 113.4 |
| 3 (C) | 148.6 |
| 4 (C) | 146 |
| 5 (CH) | 115.6 |
| 6 (CH) | 122.2 |
| 7 (CH2) | 34.9 |
| 8 (CH) | 52.4 |
| 9 (CH2) | 72.1 |
| 1' (C) | 130.6 |
| 2' (CH) | 112.8 |
| 3' (C) | 149.1 |
| 4' (C) | 147.3 |
| 5' (CH) | 116.3 |
| 6' (CH) | 121.7 |
| 7' (CH) | 86.1 |
| 8' (C) | 82.2 |
| 9' (CH2) | 71.3 |
| 1'' (CH) | 102.8 |
| 2'' (CH) | 72.2 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 70.4 |
| 6'' (CH3) | 18 |
| 3a (CH3) | 56.44 |
| 3'a (CH3) | 56.46 |
