Spektraris NMR
5α-Acetoxysilfinen-3-one
Common Name: 5α-Acetoxysilfinen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-10-6-7-12-15(3,4)14(20-11(2)18)16(5)13(19)8-9-17(10,12)16/h8-10,12,14H,6-7H2,1-5H3/t10-,12+,14+,16+,17?/m1/s1
InChIKey: InChIKey=LKQSYAJIJPIKFF-NDUVOFOHSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
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) | 168.4 |
| 2 (CH) | 130.4 |
| 3 (C) | 211.1 |
| 4 (C) | 56 |
| 5 (CH) | 86.2 |
| 6 (C) | 42 |
| 7 (CH) | 58 |
| 8 (C) | 64 |
| 9 (CH) | 38.6 |
| 10 (CH2) | 35.7 |
| 11 (CH2) | 28.3 |
| 12 (CH3) | 24.2 |
| 13 (CH3) | 24.6 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 16.1 |
| 5a (C) | 170.5 |
| 5b (CH3) | 20.9 |
