Spektraris NMR
(5alpha,8alpha)-15,16-Epoxycleroda-3,13(16),14-trien-2-one
Common Name: (5alpha,8alpha)-15,16-Epoxycleroda-3,13(16),14-trien-2-one
Synonyms: (5alpha,8alpha)-15,16-Epoxycleroda-3,13(16),14-trien-2-one
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-14-5-8-20(4)15(2)11-17(21)12-18(20)19(14,3)9-6-16-7-10-22-13-16/h7,10-11,13-14,18H,5-6,8-9,12H2,1-4H3/t14-,18+,19-,20+/m1/s1
InChIKey: InChIKey=LZGGEDPKFAGFRM-YGBSJELFSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pinto, A.C., Garcez, W.S., Queiroz, P.P.S., Fiorani, N.G. Phytochemistry (1994) 37, 1115-7
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) | 35.1 |
| 2 (C) | 198.9 |
| 3 (CH) | 128.4 |
| 4 (C) | 168.5 |
| 5 (C) | 39.4 |
| 6 (CH2) | 29.8 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 35.4 |
| 9 (C) | 38.9 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 38.9 |
| 12 (CH2) | 18.1 |
| 13 (C) | 125.2 |
| 14 (CH) | 110.7 |
| 15 (CH) | 142.5 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 14.5 |
| 18 (CH3) | 31 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 22.7 |
