Spektraris NMR
Ineupatorolide A
Common Name: Ineupatorolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-6-11(2)18(22)26-17-16-14(13(4)19(23)25-16)10-15(21)12(3)8-7-9-20(17,5)24/h11-12,14,16-17,24H,4,6-10H2,1-3,5H3/t11-,12+,14-,16-,17+,20-/m0/s1
InChIKey: InChIKey=OVXUCZUDXTYPCU-SOFQVFNFSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, Y.L., Ou, J.C., Kuo, Y.H., Lin, J.K., Lee, K.H. J Nat Prod (1996) 59, 991-3
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) | 19.1 |
| 2 (CH2) | 33.5 |
| 3 (CH2) | 34.9 |
| 4 (C) | 73.3 |
| 5 (CH) | 77.2 |
| 6 (CH) | 76.5 |
| 7 (CH) | 41.6 |
| 8 (CH2) | 44.9 |
| 9 (C) | 213 |
| 10 (CH) | 46.2 |
| 11 (C) | 138.1 |
| 12 (C) | 168.9 |
| 13 (CH2) | 121.5 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 24.7 |
| 5a (C) | 177.8 |
| 5b (CH) | 41.7 |
| 5c (CH2) | 26.6 |
| 5d (CH3) | 11.6 |
| 5e (CH3) | 16.7 |
