Spektraris NMR
Epoxyvesceritenol
Common Name: Epoxyvesceritenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-13(2)25(29)12-18(31-14(3)26)24(5)19(25)17(11-23(4)21(33-23)20(24)27)32-22(28)15-7-9-16(30-6)10-8-15/h7-10,13,17-21,27,29H,11-12H2,1-6H3/t17-,18+,19+,20-,21-,23+,24-,25+/m0/s1
InChIKey: InChIKey=ZYGWGXHBHANRDW-MTQOEFOPSA-N
Formula: C25H34O8
Molecular Weight: 462.533622
Exact Mass: 462.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oughlissi-Dehak, K., Lawton, P., Michalet, S., Bayet, C., Darbour, N., Hadj-Mahammed, M., Badjah-Hadj-Ahmed, Y.A., Dijoux-Franca, M.G., Guilet, D. Phytochemistry (2008) 69, 1933-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) | 53.2 |
| 2 (CH) | 79.7 |
| 3 (CH2) | 39.2 |
| 4 (C) | 85.2 |
| 5 (CH) | 54.1 |
| 6 (CH) | 69 |
| 7 (CH2) | 44.1 |
| 8 (C) | 55.2 |
| 9 (CH) | 66.7 |
| 10 (CH) | 74.6 |
| 11 (CH) | 36.9 |
| 12 (CH3) | 17.4 |
| 13 (CH3) | 18.1 |
| 14 (CH3) | 23 |
| 15 (CH3) | 13.6 |
| 1' (C) | 122.1 |
| 2' (CH) | 131.7 |
| 3' (CH) | 114.1 |
| 4' (C) | 163.8 |
| 5' (CH) | 114.1 |
| 6' (CH) | 131.7 |
| 7' (C) | 166.1 |
| 2a (C) | 170.9 |
| 2b (CH3) | 21.3 |
| 4'a (CH3) | 55.5 |
