Spektraris NMR
3β-Hydroxy-5α-angeloyloxysilphinene
Common Name: 3β-Hydroxy-5α-angeloyloxysilphinene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/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/h7,10-11,13-15,17,21H,8-9H2,1-6H3/b12-7-/t13-,14+,15?,17+,19+,20?/m1/s1
InChIKey: InChIKey=HLZJSQQUPSXGEN-QOIIVPKPSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
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) | 140.5 |
| 2 (CH) | 129.6 |
| 3 (CH) | 80.7 |
| 4 (C) | 57.5 |
| 5 (CH) | 86.7 |
| 6 (C) | 42.2 |
| 7 (CH) | 28.8 |
| 8 (C) | 67.5 |
| 9 (CH) | 39.5 |
| 10 (CH2) | 35.9 |
| 11 (CH2) | 28.9 |
| 12 (CH3) | 24.2 |
| 13 (CH3) | 25.6 |
| 14 (CH3) | 17.5 |
| 15 (CH3) | 15.9 |
| 5a (C) | 167.4 |
| 5b (C) | 126.8 |
| 5c (CH) | 138.1 |
| 5d (CH3) | 15.7 |
| 5e (CH3) | 20.7 |
