Spektraris NMR
(5alpha,8alpha,9S,10beta,13S)-Cleroda-3,14-diene-6alpha,13-diol
Common Name: (5alpha,8alpha,9S,10beta,13S)-Cleroda-3,14-diene-6alpha,13-diol
Synonyms: (5alpha,8alpha,9S,10beta,13S)-Cleroda-3,14-diene-6alpha,13-diol
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-7-18(4,22)11-12-19(5)15(3)13-17(21)20(6)14(2)9-8-10-16(19)20/h7,9,15-17,21-22H,1,8,10-13H2,2-6H3/t15-,16-,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=DAIYBBXKWRKCCZ-NADOGSGZSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Aoki, T., Ohro, T., Hiraga, Y., Suga, T., Uno, M., Ohta, S. Phytochemistry (1997) 46, 839-44
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) | 17.7 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 122.3 |
| 4 (C) | 143.7 |
| 5 (C) | 44 |
| 6 (CH) | 75.6 |
| 7 (CH2) | 37.8 |
| 8 (CH) | 34.4 |
| 9 (C) | 38 |
| 10 (CH) | 45.4 |
| 11 (CH2) | 31.8 |
| 12 (CH2) | 35 |
| 13 (C) | 73.4 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 112 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 22.4 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 18 |
