Spektraris NMR
18-Hydroxy-atis-16-ene-3,14-dione
Common Name: 18-Hydroxy-atis-16-ene-3,14-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-10-20-7-4-14-18(2,6-5-16(22)19(14,3)11-21)15(20)8-13(12)9-17(20)23/h13-15,21H,1,4-11H2,2-3H3/t13-,14+,15+,18-,19-,20+/m0/s1
InChIKey: InChIKey=SSXJLFWJLIMXHN-WDHWYFMBSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D.A., Gris, A., Navarro, I., de Arellano, C.R. Tetrahedron (2007) 63, 1664-79
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 36.98 |
| 2 (CH2) | 34.97 |
| 3 (C) | 217.91 |
| 4 (C) | 51.63 |
| 5 (CH) | 48.51 |
| 6 (CH2) | 19.63 |
| 7 (CH2) | 30.89 |
| 8 (C) | 47.75 |
| 9 (CH) | 51.68 |
| 10 (C) | 37.39 |
| 11 (CH2) | 28.03 |
| 12 (CH) | 38.36 |
| 13 (CH2) | 44.62 |
| 14 (C) | 216.49 |
| 15 (CH2) | 42.61 |
| 16 (C) | 146.99 |
| 17 (CH2) | 107.26 |
| 18 (CH2) | 66.52 |
| 19 (CH3) | 17.06 |
| 20 (CH3) | 13.26 |
