Spektraris NMR
a-Santonin
Common Name: a-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-/m0/s1
InChIKey: InChIKey=XJHDMGJURBVLLE-BOCCBSBMSA-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) | 155.1 |
| 2 (CH) | 125.9 |
| 3 (C) | 186 |
| 4 (C) | 128.4 |
| 5 (C) | 151.5 |
| 6 (CH) | 81.5 |
| 7 (CH) | 54 |
| 8 (CH2) | 23.3 |
| 9 (CH2) | 39.3 |
| 10 (C) | 41.7 |
| 11 (CH) | 41.2 |
| 12 (C) | 177.4 |
| 13 (CH3) | 12.5 |
| 14 (CH3) | 25.3 |
| 15 (CH3) | 10.9 |
