Spektraris NMR
5β-Isobutyryloxysilphinen-3-one
Common Name: 5β-Isobutyryloxysilphinen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O3/c1-11(2)15(21)22-16-17(4,5)13-8-7-12(3)19(13)10-9-14(20)18(16,19)6/h9-13,16H,7-8H2,1-6H3/t12-,13+,16-,18+,19?/m1/s1
InChIKey: InChIKey=GAGHJRGICKXQAK-TZWYMADRSA-N
Formula: C19H28O3
Molecular Weight: 304.424538
Exact Mass: 304.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reina, M., Nold, M., Santana, O., Orihuela, J.C., Gonzalez-Coloma, A. J Nat Prod (2002) 65, 448-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Silphinanes; 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) | 169.2 |
| 2 (CH) | 128.8 |
| 3 (C) | 212.8 |
| 4 (C) | 60.2 |
| 5 (CH) | 86.3 |
| 6 (C) | 44.9 |
| 7 (CH) | 59.6 |
| 8 (C) | 67.4 |
| 9 (CH) | 38.9 |
| 10 (CH2) | 36.3 |
| 11 (CH2) | 29.6 |
| 12 (CH3) | 29.6 |
| 13 (CH3) | 28.9 |
| 14 (CH3) | 19.2 |
| 15 (CH3) | 15.5 |
| 5a (C) | 164 |
| 5b (CH) | 34.4 |
| 5c (CH3) | 21.3 |
| 5d (CH3) | 15.8 |
