Spektraris NMR
2,5-Epoxy-2b-hydroxy-8a-(2-methylbut-2-enoyloxy)-4(15),10(14)11(13)-germacratrien-12,6a-olide
Common Name: 2,5-Epoxy-2b-hydroxy-8a-(2-methylbut-2-enoyloxy)-4(15),10(14)11(13)-germacratrien-12,6a-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-6-11(3)18(21)24-14-7-10(2)8-20(23)9-12(4)16(26-20)17-15(14)13(5)19(22)25-17/h6,14-17,23H,2,4-5,7-9H2,1,3H3/b11-6+/t14-,15+,16-,17-,20-/m0/s1
InChIKey: InChIKey=UCNWFQSIKSARTF-LZIGFEGRSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tabapda, T.K., Liu, J., Ngadjui, B.T., Luu, B. Planta Med (2007) 73, 376-80
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) | 50.9 |
| 2 (C) | 107.9 |
| 3 (CH2) | 41.9 |
| 4 (C) | 143.6 |
| 5 (CH) | 81.1 |
| 6 (CH) | 79 |
| 7 (CH) | 39.4 |
| 8 (CH) | 75.1 |
| 9 (CH2) | 34.8 |
| 10 (C) | 140.2 |
| 11 (C) | 136.4 |
| 12 (C) | 169 |
| 13 (CH2) | 126.5 |
| 14 (CH2) | 121.8 |
| 15 (CH2) | 111.2 |
| 8a (C) | 165.6 |
| 8b (C) | 128.5 |
| 8c (CH) | 138.5 |
| 8d (CH3) | 14.7 |
| 8ba (CH3) | 12.2 |
