Spektraris NMR
5α-Hydroxysilphinen-3-one
Common Name: 5α-Hydroxysilphinen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9-5-6-10-13(2,3)12(17)14(4)11(16)7-8-15(9,10)14/h7-10,12,17H,5-6H2,1-4H3/t9-,10+,12+,14+,15?/m1/s1
InChIKey: InChIKey=RPAMEABXKIBXSD-HPUUELJUSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
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) | 171.2 |
| 2 (CH) | 129.9 |
| 3 (C) | 218.5 |
| 4 (C) | 56.3 |
| 5 (CH) | 87.1 |
| 6 (C) | 42.6 |
| 7 (CH) | 57.2 |
| 8 (C) | 63.2 |
| 9 (CH) | 38.5 |
| 10 (CH2) | 35.4 |
| 11 (CH2) | 29 |
| 12 (CH3) | 22.8 |
| 13 (CH3) | 25 |
| 14 (CH3) | 19.2 |
| 15 (CH3) | 15.8 |
