Spektraris NMR
Isodrimanial
Common Name: Isodrimanial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O6/c1-24(2)12-11-21(25(3)19(15-27)17(14-26)13-20(28)23(24)25)31-22(29)10-7-16-5-8-18(30-4)9-6-16/h5-10,13-15,19-21,23,28H,11-12H2,1-4H3/b10-7+/t19-,20-,21+,23-,25-/m0/s1
InChIKey: InChIKey=YWTPSTGVICXAEK-ZFLWQVEISA-N
Formula: C25H30O6
Molecular Weight: 426.50305
Exact Mass: 426.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fomekong-Fotsop, D., Roussi, F., Callonec, C.L., Bousserouel, H., Litaudon, M., Guéritte, F. Tetrahedron (2008) 64, 2192-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) | 80.8 |
| 2 (CH2) | 24 |
| 3 (CH2) | 40.5 |
| 4 (C) | 33.2 |
| 5 (CH) | 55.8 |
| 6 (CH) | 68.1 |
| 7 (CH) | 153.5 |
| 8 (C) | 139.7 |
| 9 (CH) | 58.4 |
| 10 (C) | 44.5 |
| 11 (CH) | 199.9 |
| 12 (CH) | 192.4 |
| 13 (CH3) | 35.9 |
| 14 (CH3) | 22.8 |
| 15 (CH3) | 11.4 |
| 1' (C) | 166.3 |
| 2' (CH) | 115 |
| 3' (CH) | 145.7 |
| 4' (C) | 126.8 |
| 5' (CH) | 130 |
| 6' (CH) | 114.3 |
| 7' (C) | 161.6 |
| 8' (CH) | 114.3 |
| 9' (CH) | 130 |
| 7'a (CH3) | 55.4 |
