Spektraris NMR
Viteagnusin E
Common Name: Viteagnusin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O6/c1-7-8-14-29-22-25(16-20(28)31-22)12-13-26(32-25)17(2)15-19(30-18(3)27)21-23(4,5)10-9-11-24(21,26)6/h17,19,21-22H,7-16H2,1-6H3/t17-,19-,21+,22-,24+,25+,26-/m1/s1
InChIKey: InChIKey=CFJIARCTYBJYBE-JPLPLTHCSA-N
Formula: C26H42O6
Molecular Weight: 450.609075
Exact Mass: 450.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Yamasaki, T., Konoshita, M., Ikeda, T., Okawa, M., Kinjo, J., Yoshimitsu, H., Nohara, T. Chem Pharm Bull (2008) 56, 1621-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 32.5 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 43.8 |
| 4 (C) | 34.1 |
| 5 (CH) | 48.7 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 36.4 |
| 8 (CH) | 31.5 |
| 9 (C) | 94.8 |
| 10 (C) | 42.8 |
| 11 (CH2) | 28.7 |
| 12 (CH2) | 37 |
| 13 (C) | 86.1 |
| 14 (CH2) | 39.3 |
| 15 (C) | 173.9 |
| 16 (CH) | 107.2 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 19.7 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.9 |
| 16a (CH2) | 69.5 |
| 16b (CH2) | 31.5 |
| 16c (CH2) | 19.3 |
| 16d (CH3) | 13.8 |
