Spektraris NMR
TuberculariolC
Common Name: TuberculariolC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O4/c1-9(8-16)11-7-14(3)10(2)5-4-6-15(14,19)13(18)12(11)17/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14+,15?/m0/s1
InChIKey: InChIKey=CIJUHXNUTLEIGC-OYVNQUTQSA-N
Formula: C15H26O4
Molecular Weight: 270.365118
Exact Mass: 270.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, R., Wang, M.Z., Lu, C.H., Zheng, Z.H., Shen, Y.M. Helv Chim Acta (2009) 92, 1514-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 30.7 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 29.6 |
| 4 (CH) | 34.8 |
| 5 (C) | 39.3 |
| 6 (CH2) | 38.5 |
| 7 (CH) | 39 |
| 8 (CH) | 71.2 |
| 9 (CH) | 78.4 |
| 10 (C) | 75.1 |
| 11 (C) | 151.8 |
| 12 (CH2) | 64.6 |
| 13 (CH2) | 108.9 |
| 14 (CH3) | 13.8 |
| 15 (CH3) | 13.4 |
