Spektraris NMR
5-epi-Vibsanin K
Common Name: 5-epi-Vibsanin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O7/c1-17(2)14-22(28)31-13-9-21-20(15-18(3)27)23(29)19(16-26)8-12-25(21,6)11-7-10-24(4,5)32-30/h7-10,13-14,20-21,26,30H,11-12,15-16H2,1-6H3/b10-7+,13-9+/t20-,21+,25+/m1/s1
InChIKey: InChIKey=IWBJGUXNIZBHTO-YYDJBVLTSA-N
Formula: C25H36O7
Molecular Weight: 448.550099
Exact Mass: 448.246104
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Minami, H., Matsuo, A., Kitamura, K., Akizuki, M., Kubo, M., Kodama, M. Chem Pharm Bull (2002) 50, 368-71
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vibsanes; 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) | 39.1 |
| 2 (CH) | 139.3 |
| 3 (C) | 143.5 |
| 4 (C) | 203.3 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 43.9 |
| 7 (C) | 207.1 |
| 8 (CH) | 138.1 |
| 9 (CH) | 111.7 |
| 10 (CH) | 46.6 |
| 11 (C) | 41.1 |
| 12 (CH2) | 45.9 |
| 13 (CH) | 125.3 |
| 14 (CH) | 139.2 |
| 15 (C) | 81.4 |
| 16 (CH3) | 24.5 |
| 17 (CH3) | 24.7 |
| 18 (CH2) | 64.2 |
| 19 (CH3) | 30.3 |
| 20 (CH3) | 25.2 |
| 8a (C) | 163.3 |
| 8b (CH) | 114.9 |
| 8c (C) | 160.3 |
| 8d (CH3) | 27 |
| 8ca (CH3) | 20.3 |
