Spektraris NMR
KongensinA
Common Name: KongensinA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-12-14-6-7-18(25)22(5)17(11-16(24)15(10-14)20(12)26)21(3,4)9-8-19(22)27-13(2)23/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3/t14-,16-,17-,19-,22-/m1/s1
InChIKey: InChIKey=NUUWPMNNBHROPI-ASAQZKIWSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 73.5 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 34.5 |
| 4 (C) | 34.6 |
| 5 (CH) | 39.4 |
| 6 (CH2) | 36.4 |
| 7 (CH) | 64.1 |
| 8 (C) | 148.7 |
| 9 (C) | 211.9 |
| 10 (C) | 56.4 |
| 11 (CH2) | 34.6 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 42.4 |
| 14 (CH) | 160.2 |
| 15 (C) | 195.2 |
| 16 (C) | 146.5 |
| 17 (CH2) | 116.4 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 17.7 |
| 1a (C) | 169.8 |
| 1b (CH3) | 21.8 |
