Spektraris NMR
2α,5-epoxy-5,10-dihydroxy-6α-angeloyloxy-9β-(2-methylbutyloxy)-germacran-8α,12-olide
Common Name: 2α,5-epoxy-5,10-dihydroxy-6α-angeloyloxy-9β-(2-methylbutyloxy)-germacran-8α,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O9/c1-8-12(3)21(26)32-19-17-15(6)23(28)31-18(17)20(33-22(27)13(4)9-2)24(7,29)11-16-10-14(5)25(19,30)34-16/h8,13-14,16-20,29-30H,6,9-11H2,1-5,7H3/b12-8-/t13?,14-,16+,17+,18+,19-,20-,24+,25-/m0/s1
InChIKey: InChIKey=LYSXXZROYWKWEQ-GUCBXKTGSA-N
Formula: C25H36O9
Molecular Weight: 480.548909
Exact Mass: 480.235933
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kim, M.R., Suh, B.R., Kim, J.G., Kim, Y.H., Kim, D.K., Moon, D.C. Phytochemistry (1999) 52, 113-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, 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 (CH2) | 45.3 |
| 2 (CH) | 75.2 |
| 3 (CH2) | 38.7 |
| 4 (CH) | 37.3 |
| 5 (C) | 107.2 |
| 6 (CH) | 77.2 |
| 7 (CH) | 46.5 |
| 8 (CH) | 79.4 |
| 9 (CH) | 79.6 |
| 10 (C) | 72.7 |
| 11 (C) | 136.1 |
| 12 (C) | 171.4 |
| 13 (CH2) | 126.9 |
| 14 (CH3) | 30.8 |
| 15 (CH3) | 15.1 |
| 6a (C) | 167.8 |
| 6b (C) | 128.6 |
| 6c (CH) | 140.9 |
| 6d (CH3) | 16 |
| 6ba (CH3) | 20.7 |
| 9a (C) | 178.1 |
| 9b (CH) | 42.6 |
| 9c (CH2) | 27.7 |
| 9d (CH3) | 12.1 |
| 9ba (CH3) | 17.2 |
