Spektraris NMR
Cassipourol
Common Name: Cassipourol
Synonyms: Cassipourol
CAS Registry Number:
InChI: InChI=1S/C20H38O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h13,16,18-19,21H,6-12,14-15H2,1-5H3/b17-13+/t16?,18-,19-/m0/s1
InChIKey: InChIKey=UDNYCQANCWSNDB-MBNCDAFSSA-N
Formula: C20H38O1
Molecular Weight: 294.515872
Exact Mass: 294.292266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S., Norris, A., Miller, J.S., Ratovoson, F., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2006) 69, 287-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyclophytanes; 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 (CH2) | 59.52 |
| 2 (CH) | 123.16 |
| 3 (C) | 140.42 |
| 4 (CH2) | 39.95 |
| 5 (CH2) | 25.21 |
| 6 (CH2) | 37.51 |
| 7 (CH) | 32.78 |
| 8 (CH2) | 37.44 |
| 9 (CH2) | 24.55 |
| 10 (CH) | 32.88 |
| 11 (CH) | 28.06 |
| 12 (CH2) | 37.44 |
| 13 (CH2) | 24.87 |
| 14 (CH2) | 39.45 |
| 15 (C) | 36.74 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 19.83 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 16.26 |
