Spektraris NMR
Crotonkinin A
Common Name: Crotonkinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-12-11-20-14(7-6-13(12)17(20)22)19(4)9-5-8-18(2,3)15(19)10-16(20)21/h13-15,17,22H,1,5-11H2,2-4H3/t13-,14-,15+,17+,19-,20-/m1/s1
InChIKey: InChIKey=FKUNRSJLNKRKMY-QAINLGQKSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, P.C., Shen, Y.C., Yang, M.L., Wang, S.H., Thang, T.D., Dung, N.X., Chiang, P.C., Lee, K.H., Lee, E.J., Wu, T.S. J Nat Prod (2007) 70, 1906-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.4 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.6 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 37.9 |
| 7 (C) | 212.9 |
| 8 (C) | 62.5 |
| 9 (CH) | 59.9 |
| 10 (C) | 39.2 |
| 11 (CH2) | 16.8 |
| 12 (CH2) | 32.3 |
| 13 (CH) | 50.4 |
| 14 (CH) | 77.6 |
| 15 (CH2) | 38.2 |
| 16 (C) | 151.7 |
| 17 (CH2) | 108.3 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 21 |
| 20 (CH3) | 16.7 |
