Spektraris NMR
Ketol
Common Name: Ketol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-26(2)21-10-8-19-18-28(5)15-12-22-27(3,4)25(32)14-17-30(22,7)23(28)11-9-20(19)29(21,6)16-13-24(26)31/h8,20-24,31H,9-18H2,1-7H3/t20-,21-,22-,23-,24+,28-,29+,30-/m0/s1
InChIKey: InChIKey=XDHBNKYGNARLOT-RUDUKBHASA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsuboi, R., Matsunaga, S. Phytochemistry (1994) 37, 209-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 39.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 218.4 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 44.2 |
| 8 (C) | 37.4 |
| 9 (CH) | 62.3 |
| 10 (C) | 37.8 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 56.8 |
| 14 (C) | 138.2 |
| 15 (CH) | 122.4 |
| 16 (CH2) | 24 |
| 17 (CH) | 43.3 |
| 18 (C) | 35.9 |
| 19 (CH2) | 31.2 |
| 20 (CH2) | 25.4 |
| 21 (CH) | 76.2 |
| 22 (C) | 37.1 |
| 23 (CH3) | 26.9 |
| 24 (CH3) | 21 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 19.3 |
| 27 (CH2) | 56.1 |
| 28 (CH3) | 13.3 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 27.7 |
