Spektraris NMR
(-)-Kolavelool
Common Name: (-)-Kolavelool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17+,18+,19+,20+/m1/s1
InChIKey: InChIKey=YBDUXZKWDIUNSG-DEPCRRQNSA-N
Formula: C20H34O1
Molecular Weight: 290.484108
Exact Mass: 290.260966
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bomm, M.D., Zukerman-Schpector, J., Lopes, L.M.X. Phytochemistry (1999) 50, 455-61
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) | 18.2 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 120.4 |
| 4 (C) | 144.5 |
| 5 (C) | 38.1 |
| 6 (CH2) | 36.8 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 36.1 |
| 9 (C) | 38.3 |
| 10 (CH) | 46.3 |
| 11 (CH2) | 31.8 |
| 12 (CH2) | 35.3 |
| 13 (C) | 73.4 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.8 |
| 16 (CH3) | 27.7 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 18.4 |
