Spektraris NMR
5α-Angeloyloxysilphinen-3-one
Common Name: 5α-Angeloyloxysilphinen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-7-12(2)16(22)23-17-18(4,5)14-9-8-13(3)20(14)11-10-15(21)19(17,20)6/h7,10-11,13-14,17H,8-9H2,1-6H3/b12-7-/t13-,14+,17+,19+,20?/m1/s1
InChIKey: InChIKey=DTEDIGLLXLATOQ-CLYOJMFZSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 168 |
| 2 (CH) | 130.3 |
| 3 (C) | 211.7 |
| 4 (C) | 56.8 |
| 5 (CH) | 85.7 |
| 6 (C) | 42.7 |
| 7 (CH) | 58 |
| 8 (C) | 64.9 |
| 9 (CH) | 38.6 |
| 10 (CH2) | 35.6 |
| 11 (CH2) | 28.2 |
| 12 (CH3) | 24.4 |
| 13 (CH3) | 24.6 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 16 |
| 5a (C) | 167.3 |
| 5b (C) | 127.8 |
| 5c (CH) | 138.7 |
| 5d (CH3) | 15.7 |
| 5e (CH3) | 20.5 |
