Spektraris NMR
Stemod-12-en-2-one
Common Name: Stemod-12-en-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-13-7-8-20-10-14(13)9-15(20)5-6-17-18(2,3)11-16(21)12-19(17,20)4/h7,14-15,17H,5-6,8-12H2,1-4H3/t14-,15-,17-,19-,20+/m0/s1
InChIKey: InChIKey=BCLFWSYURRBECE-NHQOTNMQSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, G.D., Reynolds, W.F., Reese, P.B. Phytochemistry (2004) 65, 701-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemodanes; 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) | 50.7 |
| 2 (C) | 212.5 |
| 3 (CH2) | 56.1 |
| 4 (C) | 39.1 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 36.8 |
| 8 (CH) | 38.9 |
| 9 (C) | 49.9 |
| 10 (C) | 45 |
| 11 (CH2) | 33.4 |
| 12 (CH) | 117.4 |
| 13 (C) | 145.8 |
| 14 (CH) | 42.9 |
| 15 (CH2) | 44 |
| 16 (CH2) | 35.4 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 34.3 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 21.6 |
