Spektraris NMR
Kolavenal
Common Name: Kolavenal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,14,17-18H,6,8-10,12-13H2,1-5H3/b15-11+/t17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=KWFJCXUIFWSZOW-UUMJGGROSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcez, F.R., Garcez, W.S., da Silva, A.F.G., Bazzo, R.D., Resende, U.M. J Braz Chem Soc (2004) 15, 767-72
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.3 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 120.4 |
| 4 (C) | 144.5 |
| 5 (C) | 38.2 |
| 6 (CH2) | 36.8 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.8 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 36 |
| 12 (CH2) | 34.4 |
| 13 (C) | 165.5 |
| 14 (CH) | 127.2 |
| 15 (CH) | 191.3 |
| 16 (CH3) | 17.8 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 18.3 |
