Spektraris NMR
Eupalinolide E
Common Name: Eupalinolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8-10,19-22H,3,7,11-12H2,1-2,4-5H3/b13-8+,14-10+,18-6-/t19-,20+,21+,22-/m0/s1
InChIKey: InChIKey=ZGCMCZAPNFABOT-FHEQDPKSSA-N
Formula: C24H28O9
Molecular Weight: 460.474647
Exact Mass: 460.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y., Zou, Z.M. Chin J Nat Med (2008) 6, 339-45
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 (CH) | 130.7 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 77 |
| 4 (C) | 136.3 |
| 5 (CH) | 125.2 |
| 6 (CH) | 78.6 |
| 7 (CH) | 48.2 |
| 8 (CH) | 74.4 |
| 9 (CH2) | 38.4 |
| 10 (C) | 134.1 |
| 11 (C) | 136.9 |
| 12 (C) | 168.7 |
| 13 (CH2) | 125.1 |
| 14 (CH2) | 62.5 |
| 15 (CH3) | 18 |
| 3a (C) | 170.4 |
| 3b (CH3) | 20.7 |
| 8a (C) | 166.2 |
| 8b (C) | 144.4 |
| 8c (CH) | 134.2 |
| 8d (CH) | 191 |
| 8e (CH3) | 13 |
| 14a (C) | 169.9 |
| 14b (CH3) | 21 |
