Spektraris NMR
Kongensin E
Common Name: Kongensin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O7/c1-13-17-8-9-18-25(7)19(24(5,6)11-10-20(25)31-14(2)27)12-21(32-15(3)28)26(18,22(13)30)23(17)33-16(4)29/h17-21,23H,1,8-12H2,2-7H3/t17-,18-,19+,20+,21+,23+,25-,26-/m0/s1
InChIKey: InChIKey=AXJMDVBISSHYGL-WFYXJCEMSA-N
Formula: C26H36O7
Molecular Weight: 460.560835
Exact Mass: 460.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, W., Yang, X.D., Zhao, J.F., Zhang, H.B., Li, L. Helv Chim Acta (2007) 90, 1554-8
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 (CH) | 73.8 |
| 2 (CH2) | 23.6 |
| 3 (CH2) | 35.9 |
| 4 (C) | 33.9 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 25.3 |
| 7 (CH) | 74.7 |
| 8 (C) | 61.9 |
| 9 (CH) | 49.4 |
| 10 (C) | 44 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 33.4 |
| 13 (CH) | 45.2 |
| 14 (CH) | 75.9 |
| 15 (C) | 204.9 |
| 16 (C) | 146.6 |
| 17 (CH2) | 118.6 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 19.5 |
| 1a (C) | 171.1 |
| 1b (CH3) | 22.1 |
| 7a (C) | 170.4 |
| 7b (CH3) | 22.2 |
| 14a (C) | 171.6 |
| 14b (CH3) | 22.2 |
