Spektraris NMR
Tutin
Common Name: Tutin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1
InChIKey: InChIKey=CCAZWUJBLXKBAY-ULZPOIKGSA-N
Formula: C15H18O6
Molecular Weight: 294.300402
Exact Mass: 294.110338
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Okuda, T., Yoshida, T., Chen, X.M., Xie, J.X., Fukushima, M. Chem Pharm Bull (1987) 35, 182
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Picrotoxanes; 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) | 45.9 |
| 2 (CH) | 72.1 |
| 3 (CH) | 84.4 |
| 4 (CH) | 49.9 |
| 5 (CH) | 50.8 |
| 6 (C) | 77.9 |
| 7 (CH3) | 23 |
| 8 (C) | 142.7 |
| 9 (CH3) | 21.3 |
| 10 (CH2) | 110.5 |
| 11 (CH) | 61 |
| 12 (CH) | 60.2 |
| 13 (C) | 66 |
| 14 (CH2) | 52 |
| 15 (C) | 175.6 |
