Spektraris NMR
Eupalinilide J
Common Name: Eupalinilide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O10/c1-9(5-6-23)19(26)30-12-7-22(28,8-24)15-14(16-13(12)10(2)20(27)31-16)21(4)18(32-21)17(15)29-11(3)25/h5,12-18,23-24,28H,2,6-8H2,1,3-4H3/b9-5+/t12-,13-,14+,15+,16+,17+,18-,21+,22+/m1/s1
InChIKey: InChIKey=XXDDPYGIIXZQBL-ROZFHUFVSA-N
Formula: C22H28O10
Molecular Weight: 452.45258
Exact Mass: 452.168247
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huo, J., Yang, S.P., Ding, J., Yue, J.M. J Nat Prod (2004) 67, 1470-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 45.5 |
| 2 (CH) | 74.2 |
| 3 (CH) | 61.1 |
| 4 (C) | 65.3 |
| 5 (CH) | 49.3 |
| 6 (CH) | 77 |
| 7 (CH) | 47.5 |
| 8 (CH) | 67.1 |
| 9 (CH2) | 35 |
| 10 (C) | 73.8 |
| 11 (C) | 134.3 |
| 12 (C) | 169.5 |
| 13 (CH2) | 122.1 |
| 14 (CH2) | 69.5 |
| 15 (CH3) | 18.7 |
| 2a (C) | 169.8 |
| 2b (CH3) | 21.2 |
| 8a (C) | 166.8 |
| 8b (C) | 127.6 |
| 8c (CH) | 141.5 |
| 8d (CH2) | 59.6 |
| 8e (CH3) | 12.8 |
