Spektraris NMR
b-Santonin
Common Name: b-Santonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1
InChIKey: InChIKey=XJHDMGJURBVLLE-OMSPQPPYSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: Y
MHz:
Calibration:
NMR references: 13C - Pregosin, P.S., Randall, E.W., McMurry, T.B.H. J Chem Soc, Perkin Trans 1 (1972) 0, 299
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 155 |
| 2 (CH) | 126 |
| 3 (C) | 186.1 |
| 4 (C) | 128.8 |
| 5 (C) | 151.9 |
| 6 (CH) | 80 |
| 7 (CH) | 49.5 |
| 8 (CH2) | 20.3 |
| 9 (CH2) | 38.2 |
| 10 (C) | 41.5 |
| 11 (CH) | 38.2 |
| 12 (C) | 178.3 |
| 13 (CH3) | 9.9 |
| 14 (CH3) | 25.2 |
| 15 (CH3) | 11 |
