Spektraris NMR
Karatavicinol
Common Name: Karatavicinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O5/c1-17(8-12-22(25)24(3,4)27)6-5-7-18(2)14-15-28-20-11-9-19-10-13-23(26)29-21(19)16-20/h6,9-11,13-14,16,22,25,27H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+
InChIKey: InChIKey=SOTUFGKJQVSOCT-ZCSZAFQUSA-N
Formula: C24H32O5
Molecular Weight: 400.50879
Exact Mass: 400.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A. Phytochemistry (1999) 50, 109-12
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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 (CH2) | 17 |
| 2 (CH) | 118.3 |
| 3 (C) | 144 |
| 4 (CH2) | 36.7 |
| 5 (CH2) | 30 |
| 6 (CH) | 124.1 |
| 7 (C) | 135.6 |
| 8 (CH2) | 39.2 |
| 9 (CH2) | 26.2 |
| 10 (CH) | 78 |
| 11 (C) | 73 |
| 12 (CH3) | 23.8 |
| 13 (CH3) | 17 |
| 14 (CH3) | 16.3 |
| 15 (CH3) | 26.1 |
| 2' (C) | 162 |
| 3' (CH) | 112.4 |
| 4' (CH) | 144 |
| 5' (CH) | 128.9 |
| 6' (CH) | 113 |
| 7' (C) | 161.3 |
| 8' (CH) | 101.5 |
| 9' (C) | 156 |
| 10' (C) | 112.5 |
