Spektraris NMR
Caesaldekarin G
Common Name: Caesaldekarin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-13-14-6-10-21(25)19(2,8-5-9-20(21,3)18(24)26-4)16(14)12-17(23)15(13)7-11-22/h14,16,22,25H,5-12H2,1-4H3/t14-,16-,19+,20+,21-/m0/s1
InChIKey: InChIKey=FMXLUDDVSRJLED-KXLDAGHISA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Peter, S., Tinto, W.F., McLean, S., Reynolds, W.F., Yu, M. Phytochemistry (1998) 47, 1153-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 30.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 31.5 |
| 4 (C) | 48.8 |
| 5 (C) | 76.1 |
| 6 (CH2) | 28.8 |
| 7 (CH2) | 25.4 |
| 8 (CH) | 40.5 |
| 9 (CH) | 43.7 |
| 10 (C) | 40.8 |
| 11 (CH2) | 37.6 |
| 12 (C) | 201.5 |
| 13 (C) | 132.4 |
| 14 (C) | 160.3 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 62.3 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 23.6 |
| 19 (C) | 177.1 |
| 20 (CH3) | 15 |
| 19a (CH3) | 51.7 |
