Spektraris NMR
Genepolide
Common Name: Genepolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O2/c1-18(2)7-5-10-21-13-15-25(16-14-21)22-12-11-19(3)8-6-9-20(4)17-23(22)27-24(25)26/h7-8,13,17,22-23H,5-6,9-12,14-16H2,1-4H3/b19-8+,20-17+/t22-,23-,25+/m1/s1
InChIKey: InChIKey=AJMWIYWHXKOBKT-GSBYDVQLSA-N
Formula: C25H36O2
Molecular Weight: 368.553074
Exact Mass: 368.27153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Taglialatela-Scafati, O., Romano, A., Pollastro, F., Avonto, C., Rubiolo, P. J Nat Prod (2009) 72, 340-4
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Germacranes; 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) | 126.8 |
| 2 (CH2) | 26 |
| 3 (CH2) | 39.4 |
| 4 (C) | 139.5 |
| 5 (CH) | 128.3 |
| 6 (CH) | 79.3 |
| 7 (CH) | 57.4 |
| 8 (CH2) | 25.1 |
| 9 (CH2) | 41.6 |
| 10 (C) | 137 |
| 11 (C) | 44.5 |
| 12 (C) | 180.8 |
| 13 (CH2) | 30.5 |
| 14 (CH3) | 16.2 |
| 15 (CH3) | 17.1 |
| 1' (CH2) | 27.1 |
| 2' (CH) | 117.3 |
| 3' (C) | 138.1 |
| 4' (CH2) | 37.6 |
| 5' (CH2) | 26.2 |
| 6' (CH) | 124.2 |
| 7' (C) | 131.5 |
| 8' (CH3) | 17.7 |
| 9' (CH3) | 26 |
| 10' (CH2) | 24.8 |
