Spektraris NMR
Crotonkinin B
Common Name: Crotonkinin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14(25)26-19-16-5-6-18-21(3)9-4-8-20(2,13-24)17(21)7-10-22(18,19)11-15(16)12-23/h11-12,16-19,24H,4-10,13H2,1-3H3/t16-,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey: InChIKey=JJNDASAEWOQLIM-MVSFUWRLSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
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) | 39.1 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 35.1 |
| 4 (C) | 37.3 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 42.3 |
| 8 (C) | 49.4 |
| 9 (CH) | 55.3 |
| 10 (C) | 38.8 |
| 11 (CH2) | 34.5 |
| 12 (CH2) | 37.6 |
| 13 (CH) | 36.1 |
| 14 (CH) | 68.5 |
| 15 (CH) | 162.5 |
| 16 (C) | 150.7 |
| 17 (CH) | 189.2 |
| 18 (CH2) | 71.8 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 18.1 |
| 14a (C) | 169.3 |
| 14b (CH3) | 21.4 |
