Spektraris NMR
Rouyolide E
Common Name: Rouyolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-8-13(3)20(26)30-18-17-15(29-22(28)25(17,7)33-21(27)14(4)9-2)12-24(6)16(31-24)10-11-23(5)19(18)32-23/h8-9,15-19H,10-12H2,1-7H3/b13-8-,14-9-/t15-,16+,17+,18+,19+,23+,24-,25-/m1/s1
InChIKey: InChIKey=XYXAYBUVLPKFTC-RUNIQRCWSA-N
Formula: C25H34O8
Molecular Weight: 462.533622
Exact Mass: 462.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muckensturm, B., Sen, F., Boulanger, A., Reduron, J.P. Phytochemistry (2003) 63, 863-7
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) | 59.5 |
| 2 (CH2) | 24.2 |
| 3 (CH2) | 34 |
| 4 (C) | 58.7 |
| 5 (CH) | 64.8 |
| 6 (CH) | 69.8 |
| 7 (CH) | 50.9 |
| 8 (CH) | 75.2 |
| 9 (CH2) | 45.1 |
| 10 (C) | 56.3 |
| 11 (C) | 77.1 |
| 12 (C) | 173.1 |
| 13 (CH3) | 25.8 |
| 14 (CH3) | 16.6 |
| 15 (CH3) | 16.8 |
| 6a (C) | 165.3 |
| 6b (C) | 126.4 |
| 6c (CH) | 140.8 |
| 6d (CH3) | 15.8 |
| 6ba (CH3) | 20 |
| 11a (C) | 166.8 |
| 11b (C) | 126.6 |
| 11c (CH) | 141.5 |
| 11d (CH3) | 16 |
| 11ba (CH3) | 20.2 |
