Spektraris NMR
CHEMBL513085
Common Name: CHEMBL513085
Synonyms: CHEMBL513085
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9-11(17)6-10-7-14(8-16)5-4-13(2,3)12(14)15(9,10)18/h10-12,16-18H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m0/s1
InChIKey: InChIKey=GFKKVCMMVHTMDU-ZCRGAIPPSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.H., Wen, Z.H., Wang, S.K., Duh, C.Y. J Nat Prod (2008) 71, 619-21
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Capnellanes; 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 (C) | 44.5 |
| 2 (CH2) | 43.9 |
| 3 (CH2) | 37.5 |
| 4 (C) | 55.5 |
| 5 (CH2) | 41.5 |
| 6 (CH) | 49.5 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 74.2 |
| 9 (C) | 164.3 |
| 10 (C) | 90.6 |
| 11 (CH) | 62.5 |
| 12 (CH2) | 111.8 |
| 13 (CH2) | 71.4 |
| 14 (CH3) | 30.7 |
| 15 (CH3) | 23.8 |
