Spektraris NMR
Stemodan-2-one
Common Name: Stemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/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/h13-15,17H,5-12H2,1-4H3/t13-,14+,15+,17+,19+,20-/m1/s1
InChIKey: InChIKey=BFLWKWCUROLORT-QTODTUCWSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, G.D., Reynolds, W.F., Reese, P.B. Phytochemistry (2004) 65, 2211-7
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) | 51.4 |
| 2 (C) | 212.6 |
| 3 (CH2) | 55.9 |
| 4 (C) | 39.1 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 36.2 |
| 8 (CH) | 38.5 |
| 9 (C) | 50.5 |
| 10 (C) | 44.8 |
| 11 (CH2) | 31.2 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 36.1 |
| 14 (CH) | 40.2 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 38.1 |
| 17 (CH3) | 18.7 |
| 18 (CH3) | 34.4 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 19.4 |
