Spektraris NMR
Rouyolide A
Common Name: Rouyolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O7/c1-8-15(4)21(26)29-17-12-14(3)10-11-19-24(6,31-19)13-18-20(17)25(7,23(28)30-18)32-22(27)16(5)9-2/h8-9,12,17-20H,10-11,13H2,1-7H3/b14-12+,15-8-,16-9-/t17-,18-,19+,20-,24-,25-/m1/s1
InChIKey: InChIKey=LZXPHUXPDVBGGC-QXGJHGCZSA-N
Formula: C25H34O7
Molecular Weight: 446.534218
Exact Mass: 446.230453
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) | 60.1 |
| 2 (CH2) | 24 |
| 3 (CH2) | 36.3 |
| 4 (C) | 137.5 |
| 5 (CH) | 126 |
| 6 (CH) | 69.3 |
| 7 (CH) | 50.5 |
| 8 (CH) | 76 |
| 9 (CH2) | 42.3 |
| 10 (C) | 57 |
| 11 (C) | 77 |
| 12 (C) | 173.5 |
| 13 (CH3) | 24.8 |
| 14 (CH3) | 21.8 |
| 15 (CH3) | 17.2 |
| 6a (C) | 166 |
| 6b (C) | 127 |
| 6c (CH) | 140 |
| 6d (CH3) | 17.2 |
| 6ba (CH3) | 20.1 |
| 11a (C) | 167.1 |
| 11b (C) | 127.1 |
| 11c (CH) | 140.1 |
| 11d (CH3) | 16.1 |
| 11ba (CH3) | 20.3 |
