Spektraris NMR
Rouyolide B
Common Name: Rouyolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O6/c1-8-17(5)22(26)29-19-13-15(3)11-10-12-16(4)14-20-21(19)25(7,24(28)30-20)31-23(27)18(6)9-2/h8-9,12-13,19-21H,10-11,14H2,1-7H3/b15-13+,16-12+,17-8-,18-9-/t19-,20-,21-,25-/m1/s1
InChIKey: InChIKey=MPNMAUIFXAJHFI-GSXLDCKMSA-N
Formula: C25H34O6
Molecular Weight: 430.534813
Exact Mass: 430.235539
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) | 130 |
| 2 (CH2) | 24.6 |
| 3 (CH2) | 38.8 |
| 4 (C) | 137.5 |
| 5 (CH) | 128 |
| 6 (CH) | 69.4 |
| 7 (CH) | 50 |
| 8 (CH) | 79 |
| 9 (CH2) | 40 |
| 10 (C) | 129 |
| 11 (C) | 77.3 |
| 12 (C) | 174 |
| 13 (CH3) | 25 |
| 14 (CH3) | 21.2 |
| 15 (CH3) | 17.3 |
| 6a (C) | 166.2 |
| 6b (C) | 128.4 |
| 6c (CH) | 140 |
| 6d (CH3) | 15.6 |
| 6ba (CH3) | 20.2 |
| 11a (C) | 168.1 |
| 11b (C) | 128.3 |
| 11c (CH) | 140.5 |
| 11d (CH3) | 16 |
| 11ba (CH3) | 20.4 |
