Spektraris NMR
6a-Hydroxy-3,12E,14-clerodatriene
Common Name: 6a-Hydroxy-3,12E,14-clerodatriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-7-14(2)11-12-19(5)16(4)13-18(21)20(6)15(3)9-8-10-17(19)20/h7,9,11,16-18,21H,1,8,10,12-13H2,2-6H3/b14-11+/t16-,17-,18+,19+,20+/m1/s1
InChIKey: InChIKey=DFMJXLDPHLWJDW-KSPCMZMESA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Sekiguchi, T., Takaoka, S., Asakawa, Y. Chem Pharm Bull (2004) 52, 556-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.2 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 122.5 |
| 4 (C) | 143.5 |
| 5 (C) | 44 |
| 6 (CH) | 75.4 |
| 7 (CH2) | 37.9 |
| 8 (CH) | 35.1 |
| 9 (C) | 40.1 |
| 10 (CH) | 46.3 |
| 11 (CH2) | 36.7 |
| 12 (CH) | 128.8 |
| 13 (C) | 135.2 |
| 14 (CH) | 141.9 |
| 15 (CH2) | 110.5 |
| 16 (CH3) | 11.9 |
| 17 (CH3) | 16 |
| 18 (CH3) | 22.4 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 17.4 |
