Spektraris NMR
CHEMBL462750
Common Name: CHEMBL462750
Synonyms: CHEMBL462750
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-9(2)11-6-5-10(3)15(18)8-7-14(4,17)13(16)12(11)15/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=NYZINEQQHFXDCC-ARSDKDGVSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Song, F., Fan, X., Xu, X., Zhao, J., Yang, Y., Shi, J. J Nat Prod (2004) 67, 1644-9
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 (C) | 74.6 |
| 2 (CH2) | 32.9 |
| 3 (CH2) | 29.4 |
| 4 (C) | 71.5 |
| 5 (CH) | 74.4 |
| 6 (CH) | 43.5 |
| 7 (CH) | 38 |
| 8 (CH2) | 24.7 |
| 9 (CH2) | 31.2 |
| 10 (CH) | 42.4 |
| 11 (CH) | 26.1 |
| 12 (CH3) | 15.2 |
| 13 (CH3) | 21.8 |
| 14 (CH3) | 28.4 |
| 15 (CH3) | 14.7 |
