Spektraris NMR
Eupalinolide C
Common Name: Eupalinolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12(7-8-23)21(26)29-19-10-16(11-24)5-6-17(28-15(4)25)13(2)9-18-20(19)14(3)22(27)30-18/h5,7,9,17-20,23-24H,3,6,8,10-11H2,1-2,4H3/b12-7+,13-9-,16-5-/t17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=INXZZSZBRLXKNT-RXVLHUGDSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
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) | 127.6 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 71.3 |
| 4 (C) | 136.6 |
| 5 (CH) | 127.3 |
| 6 (CH) | 78.1 |
| 7 (CH) | 48.4 |
| 8 (CH) | 74.3 |
| 9 (CH2) | 37.5 |
| 10 (C) | 138.6 |
| 11 (C) | 137.2 |
| 12 (C) | 170 |
| 13 (CH2) | 125 |
| 14 (CH2) | 61.2 |
| 15 (CH3) | 23.1 |
| 3a (C) | 169.5 |
| 3b (CH3) | 21.2 |
| 8a (C) | 166.1 |
| 8b (C) | 127.8 |
| 8c (CH) | 141.9 |
| 8d (CH2) | 59.5 |
| 8e (CH3) | 12.6 |
