Spektraris NMR
Kongensin D
Common Name: Kongensin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11-12-5-6-16(22)20(4)15(19(2,3)8-7-17(20)23)10-14(21)13(9-12)18(11)24/h9,12,14-15,17,21,23H,1,5-8,10H2,2-4H3/t12-,14-,15-,17-,20-/m1/s1
InChIKey: InChIKey=MZEJPAGUQDRCOG-PYMGOFIGSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 71.3 |
| 2 (CH2) | 28 |
| 3 (CH2) | 33.9 |
| 4 (C) | 34.7 |
| 5 (CH) | 38.8 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 64.3 |
| 8 (C) | 148.7 |
| 9 (C) | 214.6 |
| 10 (C) | 57.5 |
| 11 (CH2) | 36.3 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 42.7 |
| 14 (CH) | 160.1 |
| 15 (C) | 195.5 |
| 16 (C) | 146.5 |
| 17 (CH2) | 116.7 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 18 |
