Spektraris NMR
Stemodane
Common Name: Stemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17+,19+,20-/m1/s1
InChIKey: InChIKey=SJXDFBRGBQAIGH-PUDAJJFRSA-N
Formula: C20H34
Molecular Weight: 274.484704
Exact Mass: 274.266051
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) | 36.2 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 36.9 |
| 8 (CH) | 38.6 |
| 9 (C) | 50.5 |
| 10 (C) | 38.4 |
| 11 (CH2) | 31.1 |
| 12 (CH2) | 28.1 |
| 13 (CH) | 36.4 |
| 14 (CH) | 40.6 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 37.7 |
| 17 (CH3) | 18.9 |
| 18 (CH3) | 34.6 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 19.7 |
