Spektraris NMR
Eupachinilide A
Common Name: Eupachinilide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-5-9(2)18(23)26-13-6-11(8-21)12-7-14(22)20(4,25)16(12)17-15(13)10(3)19(24)27-17/h5,13-17,21-22,25H,3,6-8H2,1-2,4H3/b9-5-/t13-,14+,15-,16?,17+,20+/m1/s1
InChIKey: InChIKey=CITDRWAOOHPFCD-UKIXVUSMSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.P., Huo, J., Wang, Y., Lou, L.G., Yue, J.M. J Nat Prod (2004) 67, 638-43
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 (C) | 141.3 |
| 2 (CH2) | 38 |
| 3 (CH) | 78.7 |
| 4 (C) | 82.6 |
| 5 (CH) | 54.6 |
| 6 (CH) | 76.8 |
| 7 (CH) | 54.5 |
| 8 (CH) | 65.2 |
| 9 (CH2) | 34.3 |
| 10 (C) | 130 |
| 11 (C) | 135 |
| 12 (C) | 170 |
| 13 (CH2) | 120.7 |
| 14 (CH2) | 65.9 |
| 15 (CH3) | 23.8 |
| 8a (C) | 167.1 |
| 8b (C) | 127.4 |
| 8c (CH) | 138.9 |
| 8d (CH3) | 15.8 |
| 8e (CH3) | 20.6 |
