Spektraris NMR
SCHEMBL1302026
Common Name: SCHEMBL1302026
Synonyms: SCHEMBL1302026
CAS Registry Number:
InChI: InChI=1S/C15H28O2/c1-13(2)7-5-10-15(4,17)11-6-8-14(3)9-12-16/h7,9,16-17H,5-6,8,10-12H2,1-4H3/b14-9+
InChIKey: InChIKey=VUKZQVLFDREFEX-NTEUORMPSA-N
Formula: C15H28O2
Molecular Weight: 240.382189
Exact Mass: 240.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Goodwin, T.E., Brown, F.D., Counts, R.W., Dowdy, N.C., Fraley, P.L., Hughes, R.A., Liu, D.Z., Mashburn, C.D., Rankin, J.D., Roberson, R.S., Wooley, K.D., Rasmussen, E.L., Riddle, S.W., Riddle, H.S., Schulz, S. J Nat Prod (2002) 65, 1319-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 59.4 |
| 2 (CH) | 123.9 |
| 3 (C) | 139.7 |
| 4 (CH2) | 39.9 |
| 5 (CH2) | 22.6 |
| 6 (CH2) | 41.7 |
| 7 (C) | 72.7 |
| 8 (CH2) | 41.6 |
| 9 (CH2) | 22 |
| 10 (CH) | 124.7 |
| 11 (C) | 131.7 |
| 12 (CH3) | 25.5 |
| 13 (CH3) | 17.5 |
| 14 (CH3) | 26.8 |
| 15 (CH3) | 16 |
