Spektraris NMR
10-Hydroxylancerodiol-6-anisate
Common Name: 10-Hydroxylancerodiol-6-anisate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O6/c1-13(2)23(27)11-10-22(4)19(23)17(12-14(3)18(24)20(22)25)29-21(26)15-6-8-16(28-5)9-7-15/h6-9,12-13,17,19-20,25,27H,10-11H2,1-5H3/t17-,19+,20-,22-,23+/m0/s1
InChIKey: InChIKey=CLKMREYCHDRADN-YFVPBJFGSA-N
Formula: C23H30O6
Molecular Weight: 402.481578
Exact Mass: 402.204239
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) | 48.7 |
| 2 (CH2) | 37.8 |
| 3 (CH2) | 31.8 |
| 4 (C) | 86.6 |
| 5 (CH) | 53.8 |
| 6 (CH) | 71.9 |
| 7 (CH) | 141.3 |
| 8 (C) | 132.3 |
| 9 (C) | 201.8 |
| 10 (CH) | 85 |
| 11 (CH) | 37 |
| 12 (CH3) | 13.3 |
| 13 (CH3) | 18.3 |
| 14 (CH3) | 21.6 |
| 15 (CH3) | 14.4 |
| 1' (C) | 121.9 |
| 2' (CH) | 131.9 |
| 3' (CH) | 113.9 |
| 4' (C) | 163.9 |
| 5' (CH) | 113.9 |
| 6' (CH) | 131.9 |
| 7' (C) | 165.9 |
| 4'a (CH3) | 55.5 |
