Spektraris NMR
Kongensin B
Common Name: Kongensin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-11-13-6-7-15(24)21(5)14(10-16(25)22(18(11)26)19(13)28-22)20(3,4)9-8-17(21)27-12(2)23/h13-14,16-17,19,25H,1,6-10H2,2-5H3/t13-,14+,16+,17+,19+,21+,22-/m0/s1
InChIKey: InChIKey=BNVCANGGXMQDCB-UXZMTEIHSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, W., Yang, X.D., Zhao, J.F., Yang, J.H., Zhang, H.B., Li, Z.Y., Li, L. Helv Chim Acta (2006) 89, 537-41
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) | 73.3 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 34.7 |
| 4 (C) | 34.9 |
| 5 (CH) | 38 |
| 6 (CH2) | 32.8 |
| 7 (CH) | 61.9 |
| 8 (C) | 64.7 |
| 9 (C) | 211.2 |
| 10 (C) | 56.2 |
| 11 (CH2) | 35.1 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 39.9 |
| 14 (CH) | 60.6 |
| 15 (C) | 197.1 |
| 16 (C) | 145.7 |
| 17 (CH2) | 122.3 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 17.5 |
| 1a (C) | 169.6 |
| 1b (CH3) | 21.8 |
