Spektraris NMR
5-epi-Vibsanin H
Common Name: 5-epi-Vibsanin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/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)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=IKQKKJHNBJMDBL-YYDJBVLTSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
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) | 141.2 |
| 3 (C) | 142.9 |
| 4 (C) | 203.9 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 44.1 |
| 7 (C) | 207.7 |
| 8 (CH) | 137.5 |
| 9 (CH) | 111.1 |
| 10 (CH) | 46.9 |
| 11 (C) | 41.2 |
| 12 (CH2) | 45.8 |
| 13 (CH) | 121.7 |
| 14 (CH) | 142.8 |
| 15 (C) | 70.7 |
| 16 (CH3) | 29.9 |
| 17 (CH3) | 29.8 |
| 18 (CH2) | 64.9 |
| 19 (CH3) | 30.5 |
| 20 (CH3) | 25.1 |
| 8a (C) | 163.3 |
| 8b (CH) | 114.6 |
| 8c (C) | 160.6 |
| 8d (CH3) | 27.7 |
| 8ca (CH3) | 20.6 |
