Spektraris NMR
3,7,11-trimethyldodecane-1,7,11-triol
Common Name: 3,7,11-trimethyldodecane-1,7,11-triol
Synonyms: 3,7,11-trimethyldodecane-1,7,11-triol
CAS Registry Number:
InChI: InChI=1S/C15H32O3/c1-13(8-12-16)7-5-10-15(4,18)11-6-9-14(2,3)17/h13,16-18H,5-12H2,1-4H3
InChIKey: InChIKey=ONXOROCNWKBSDX-UHFFFAOYSA-N
Formula: C15H32O3
Molecular Weight: 260.413357
Exact Mass: 260.235145
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) | 60.9 |
| 2 (CH2) | 39.7 |
| 3 (CH) | 29.1 |
| 4 (CH2) | 37.5 |
| 5 (CH2) | 18.5 |
| 6 (CH2) | 42.1 |
| 7 (C) | 72.8 |
| 8 (CH2) | 42.3 |
| 9 (CH2) | 21.1 |
| 10 (CH2) | 44.3 |
| 11 (C) | 70.9 |
| 12 (CH3) | 29.3 |
| 13 (CH3) | 29.3 |
| 14 (CH3) | 26.9 |
| 15 (CH3) | 19.6 |
