Spektraris NMR
Stachenone
Common Name: Stachenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-17(2)14-6-10-20-12-11-18(3,13-20)8-5-15(20)19(14,4)9-7-16(17)21/h11-12,14-15H,5-10,13H2,1-4H3/t14-,15+,18+,19-,20-/m1/s1
InChIKey: InChIKey=XRTFKEQRSMHTMN-GOKSDJKOSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grace, M.H., Faraldos, J.A., Lila, M.A., Coates, R.M. Phytochemistry (2007) 68, 546-53
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 38.1 |
| 2 (CH2) | 34.6 |
| 3 (C) | 217.9 |
| 4 (C) | 47.9 |
| 5 (CH) | 56 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 36.9 |
| 8 (C) | 48.9 |
| 9 (CH) | 52.1 |
| 10 (C) | 37 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 33.1 |
| 13 (C) | 43.9 |
| 14 (CH2) | 61.1 |
| 15 (CH) | 134.7 |
| 16 (CH) | 137.1 |
| 17 (CH3) | 25 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 14.7 |
