Spektraris NMR
CHEMBL572121
Common Name: CHEMBL572121
Synonyms: CHEMBL572121
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7,9,12-16H,6,8H2,1-4H3/t12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=XYCKDFDUKUYASB-LXTVHRRPSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Affeld, S., Kehraus, S., W◊ßgele, H., K◊nig, G.M. J Nat Prod (2009) 72, 298-300
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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 (CH) | 35.2 |
| 2 (CH2) | 35.1 |
| 3 (CH) | 68.5 |
| 4 (C) | 136.4 |
| 5 (CH) | 129.1 |
| 6 (CH) | 38.2 |
| 7 (CH) | 41 |
| 8 (CH2) | 25.5 |
| 9 (CH) | 122.6 |
| 10 (C) | 136.9 |
| 11 (CH) | 28.1 |
| 12 (CH3) | 21.7 |
| 13 (CH3) | 16.3 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 21.6 |
