Spektraris NMR
Caesaldekarin J
Common Name: Caesaldekarin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O4/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/h7,11-12,23H,5-6,8-10H2,1-4H3/t19-,20-,21+/m1/s1
InChIKey: InChIKey=CALDUYGLNFEUDP-NJYVYQBISA-N
Formula: C21H26O4
Molecular Weight: 342.429533
Exact Mass: 342.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lyder, D.L., Peter, S.R., Tinto, W.F., Bissada, S.M., McLean, S., Reynolds, W.F. J Nat Prod (1998) 61, 1462-5
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) | 32.9 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 31.6 |
| 4 (C) | 48.7 |
| 5 (C) | 75.5 |
| 6 (CH2) | 25.5 |
| 7 (CH2) | 23.7 |
| 8 (C) | 126.6 |
| 9 (C) | 143 |
| 10 (C) | 43.9 |
| 11 (CH) | 105.8 |
| 12 (C) | 153.8 |
| 13 (C) | 125.7 |
| 14 (C) | 128.3 |
| 15 (CH) | 104.9 |
| 16 (CH) | 144.3 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 23.9 |
| 19 (C) | 177.5 |
| 20 (CH3) | 27.5 |
| 19a (CH3) | 51.6 |
