Spektraris NMR
6-Oxovouacapane
Common Name: 6-Oxovouacapane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12-13-6-9-22-17(13)11-15-14(12)10-16(21)18-19(2,3)7-5-8-20(15,18)4/h6,9,12,14-15,18H,5,7-8,10-11H2,1-4H3/t12-,14-,15-,18-,20+/m0/s1
InChIKey: InChIKey=IGUBEPXYNZFBJL-DJHSJPGBSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendes, F.N.P., Silveira, E.R. Phytochemistry (1994) 35, 1499-503
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 39.1 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42.8 |
| 4 (C) | 32.4 |
| 5 (CH) | 65.4 |
| 6 (C) | 211.4 |
| 7 (CH2) | 47 |
| 8 (CH) | 38.7 |
| 9 (CH) | 45.7 |
| 10 (C) | 41.9 |
| 11 (CH2) | 22.9 |
| 12 (C) | 149 |
| 13 (C) | 122.1 |
| 14 (CH) | 32.9 |
| 15 (CH) | 109.5 |
| 16 (CH) | 141 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 31.1 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 15 |
