Spektraris NMR
CHEMBL457307
Common Name: CHEMBL457307
Synonyms: CHEMBL457307
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-14(2)4-5-15(3)7-9-6-11(17)10(8-16)12(9)13(14)15/h9,13,16H,4-8H2,1-3H3/t9-,13-,15-/m0/s1
InChIKey: InChIKey=NTWAILWJIBFQKE-FGEZKYSXSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
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) | 44.7 |
| 2 (CH2) | 42.3 |
| 3 (CH2) | 40.4 |
| 4 (C) | 55.2 |
| 5 (CH2) | 46.2 |
| 6 (CH) | 44.1 |
| 7 (CH2) | 42.2 |
| 8 (C) | 211.3 |
| 9 (C) | 135.5 |
| 10 (C) | 186.7 |
| 11 (CH) | 61.9 |
| 12 (CH2) | 56.8 |
| 13 (CH3) | 30.1 |
| 14 (CH3) | 31.1 |
| 15 (CH3) | 26 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.