Spektraris NMR
lakoochin B
Common Name: lakoochin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-14-24-26(32)17-25(31)23(13-9-19(3)4)29(24)28-15-21-11-12-22(30)16-27(21)33-28/h7,9-12,15-17,30-32H,6,8,13-14H2,1-5H3/b20-10+
InChIKey: InChIKey=SYIDABHGIYOYPG-KEBDBYFISA-N
Formula: C29H34O4
Molecular Weight: 446.578946
Exact Mass: 446.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Puntumchai, A., Kittakoop, P., Rajviroongit, S., Vimuttipong, S., Likhitwitayawuid, K., Thebtaranonth, Y. J Nat Prod (2004) 67, 485-6
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Benzofuranoids; 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) | 122.1 |
| 2 (CH) | 120.9 |
| 3 (CH) | 111.8 |
| 4 (C) | 153.3 |
| 5 (CH) | 98.3 |
| 6 (C) | 155.6 |
| α (CH) | 106.4 |
| β (C) | 153.1 |
| 1' (C) | 131.4 |
| 2' (C) | 120.1 |
| 3' (C) | 153.8 |
| 4' (CH) | 105.6 |
| 5' (C) | 154 |
| 6' (C) | 120.2 |
| 1'' (CH2) | 27.4 |
| 2'' (CH) | 122.3 |
| 3'' (C) | 138 |
| 4'' (CH3) | 16 |
| 5'' (CH2) | 39.6 |
| 6'' (CH2) | 26.3 |
| 7'' (CH) | 123.7 |
| 8'' (C) | 132 |
| 9'' (CH3) | 17.6 |
| 10'' (CH3) | 25.6 |
| 1''' (CH2) | 27.4 |
| 2''' (CH) | 122.4 |
| 3''' (C) | 134.2 |
| 4''' (CH3) | 17.7 |
| 5''' (CH3) | 25.7 |
