Spektraris NMR
Eupalinilide I
Common Name: Eupalinilide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O9/c1-8(4-5-21)17(24)27-10-6-20(26,7-22)12-13(19(3)16(29-19)14(12)23)15-11(10)9(2)18(25)28-15/h4,10-16,21-23,26H,2,5-7H2,1,3H3/b8-4+/t10-,11-,12+,13+,14+,15+,16-,19+,20+/m1/s1
InChIKey: InChIKey=VGEKTNDFEQYUQI-GQEGKNDZSA-N
Formula: C20H26O9
Molecular Weight: 410.415822
Exact Mass: 410.157682
NMR Solvent: CD3OD
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) | 48.9 |
| 2 (CH) | 72.8 |
| 3 (CH) | 65.9 |
| 4 (C) | 66.8 |
| 5 (CH) | 51.5 |
| 6 (CH) | 80 |
| 7 (CH) | 49.5 |
| 8 (CH) | 69.5 |
| 9 (CH2) | 36.3 |
| 10 (C) | 76.1 |
| 11 (C) | 137.4 |
| 12 (C) | 171.9 |
| 13 (CH2) | 122.2 |
| 14 (CH2) | 71.5 |
| 15 (CH3) | 20 |
| 8a (C) | 168.8 |
| 8b (C) | 129.2 |
| 8c (CH) | 143.3 |
| 8d (CH2) | 60.2 |
| 8e (CH3) | 13.2 |
