Spektraris NMR
Cussovantonin A
Common Name: Cussovantonin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-17-7-6-15(22)18(2,16(23)24)13(17)5-8-19-9-12(3-4-14(17)19)20(25,10-19)11-21/h12-15,21-22,25H,3-11H2,1-2H3,(H,23,24)/t12-,13+,14+,15-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=GBVSUOGDPKMXFY-OYYQXZGRSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina L., Kasai R., Yamasaki K. Phytochemistry (2002) 61, 367-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.8 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 78.3 |
| 4 (C) | 49.1 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 42.3 |
| 8 (C) | 43.7 |
| 9 (CH) | 56.5 |
| 10 (C) | 39.6 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 41.6 |
| 14 (CH2) | 38.4 |
| 15 (CH2) | 53.1 |
| 16 (C) | 79.7 |
| 17 (CH2) | 70.4 |
| 18 (CH3) | 24.6 |
| 19 (C) | 181 |
| 20 (CH3) | 16 |
