Spektraris NMR
Caesaldekarin C
Common Name: Caesaldekarin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11,13-14,16,23H,5-6,8-10,12H2,1-4H3/t13-,14+,16+,19-,20-,21+/m1/s1
InChIKey: InChIKey=GMCXIFIKPROBFX-ZOJTVGBFSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
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 : Vouacapanes; 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) | 32.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 32.1 |
| 4 (C) | 49.1 |
| 5 (C) | 77.1 |
| 6 (CH2) | 27.9 |
| 7 (CH2) | 24.8 |
| 8 (CH) | 34.6 |
| 9 (CH) | 37.6 |
| 10 (C) | 41.7 |
| 11 (CH2) | 22.5 |
| 12 (C) | 149.5 |
| 13 (C) | 122.3 |
| 14 (CH) | 31.4 |
| 15 (CH) | 109.5 |
| 16 (CH) | 140.3 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 24 |
| 19 (C) | 177.4 |
| 20 (CH3) | 15.1 |
| 19a (CH3) | 51.6 |
