Spektraris NMR
Jewenol A
Common Name: Jewenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-15-6-10-20(14-24)17(13-23)4-3-5-18(20)19(15,2)9-7-16(12-22)8-11-21/h4,8,15,18,21-24H,3,5-7,9-14H2,1-2H3/b16-8-/t15-,18-,19+,20-/m1/s1
InChIKey: InChIKey=KZBUOBLJHGAMHA-XEYLXHPYSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ohsaki, A., Ohno, N., Shibata, K., Tokoroyama, T., Kubota, T., Hirotsu, K., Higuchi, T. Phytochemistry (1988) 27, 2171-3
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) | 18.27 |
| 2 (CH2) | 21.24 |
| 3 (CH) | 128.83 |
| 4 (C) | 146.3 |
| 5 (C) | 43.99 |
| 6 (CH2) | 32.19 |
| 7 (CH2) | 28 |
| 8 (CH) | 37.57 |
| 9 (C) | 39.79 |
| 10 (CH) | 47.59 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 29.11 |
| 13 (C) | 143.46 |
| 14 (CH) | 127.22 |
| 15 (CH2) | 58.63 |
| 16 (CH2) | 60.08 |
| 17 (CH3) | 16.19 |
| 18 (CH2) | 64.47 |
| 19 (CH2) | 65.64 |
| 20 (CH3) | 19.3 |
