Spektraris NMR
Kanshone F
Common Name: Kanshone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-11(2)9-16(22)23-15-8-7-12(3)20(6)13(15)10-14(21)17-18(20)19(17,4)5/h10-12,15,17-18H,7-9H2,1-6H3/t12-,15-,17-,18+,20+/m1/s1
InChIKey: InChIKey=PTYVAENMFGJFCK-JZPXUEKVSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanitsu, M.A., Takaya, Y., Akasaka, M., Niwa, M., Oshima, Y. Phytochemistry (2002) 59, 845-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aristolanes; 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 (CH) | 70.1 |
| 2 (CH2) | 32.2 |
| 3 (CH2) | 28.1 |
| 4 (CH) | 38.4 |
| 5 (C) | 39.9 |
| 6 (CH) | 39.5 |
| 7 (CH) | 35 |
| 8 (C) | 195.9 |
| 9 (CH) | 120.8 |
| 10 (C) | 163 |
| 11 (C) | 24.4 |
| 12 (CH3) | 29.7 |
| 13 (CH3) | 16.6 |
| 14 (CH3) | 23.2 |
| 15 (CH3) | 15.9 |
| 1a (C) | 171.9 |
| 1b (CH2) | 43.4 |
| 1c (CH) | 25.7 |
| 1d (CH3) | 22.3 |
| 13a (CH3) | 22.4 |
