Spektraris NMR
10-Hydroxylancerodiol 6-benzoate
Common Name: 10-Hydroxylancerodiol 6-benzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-13(2)22(26)11-10-21(4)18(22)16(12-14(3)17(23)19(21)24)27-20(25)15-8-6-5-7-9-15/h5-9,12-13,16,18-19,24,26H,10-11H2,1-4H3/t16-,18+,19-,21-,22+/m0/s1
InChIKey: InChIKey=ZGTJRNKRQGVDST-CRDRRFEFSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
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) | 37.9 |
| 3 (CH2) | 32 |
| 4 (C) | 86.5 |
| 5 (CH) | 53.7 |
| 6 (CH) | 72.3 |
| 7 (CH) | 141 |
| 8 (C) | 132.5 |
| 9 (C) | 201.8 |
| 10 (CH) | 85 |
| 11 (CH) | 37 |
| 12 (CH3) | 17.2 |
| 13 (CH3) | 18.3 |
| 14 (CH3) | 21.6 |
| 15 (CH3) | 14.4 |
| 1' (C) | 129.7 |
| 2' (CH) | 129.8 |
| 3' (CH) | 128.7 |
| 4' (CH) | 133.6 |
| 5' (CH) | 128.7 |
| 6' (CH) | 129.8 |
| 7' (C) | 166.1 |
