Spektraris NMR
Vesceritenone
Common Name: Vesceritenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-14(2)25(30)13-20(32-15(3)26)24(5)19(27)12-23(4,29)11-18(21(24)25)33-22(28)16-7-9-17(31-6)10-8-16/h7-10,14,18,20-21,29-30H,11-13H2,1-6H3/t18-,20+,21+,23+,24-,25+/m0/s1
InChIKey: InChIKey=LUQKSULNNAXJGH-GVLQAJRISA-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) | 59.3 |
| 2 (CH) | 82.4 |
| 3 (CH2) | 40.6 |
| 4 (C) | 83.6 |
| 5 (CH) | 48.3 |
| 6 (CH) | 70.6 |
| 7 (CH2) | 43.9 |
| 8 (C) | 71.4 |
| 9 (CH2) | 57.8 |
| 10 (C) | 212.2 |
| 11 (CH) | 36.4 |
| 12 (CH3) | 17.4 |
| 13 (CH3) | 18.3 |
| 14 (CH3) | 33.4 |
| 15 (CH3) | 17.5 |
| 1' (C) | 121.8 |
| 2' (CH) | 131.8 |
| 3' (CH) | 114.1 |
| 4' (C) | 164.1 |
| 5' (CH) | 114.1 |
| 6' (CH) | 131.8 |
| 7' (C) | 166.4 |
| 2a (C) | 169.4 |
| 2b (CH3) | 21 |
| 4'a (CH3) | 55.6 |
