Spektraris NMR
(S)-(+)-Curcuphenol-1-O-isonicotinate
Common Name: (S)-(+)-Curcuphenol-1-O-isonicotinate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H25NO2/c1-15(2)6-5-7-17(4)19-9-8-16(3)14-20(19)24-21(23)18-10-12-22-13-11-18/h6,8-14,17H,5,7H2,1-4H3/t17-/m0/s1
InChIKey: InChIKey=IGALKRDVNHEEKZ-KRWDZBQOSA-N
Formula: C21H25N1O2
Molecular Weight: 323.429526
Exact Mass: 323.188529
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Yousaf, M., Hamann, M.T., Avery, M.A., Kelly, M., Wipf, P. J Nat Prod (2002) 65, 1547-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 148.2 |
| 2 (CH) | 122.7 |
| 3 (C) | 137 |
| 4 (CH) | 123.4 |
| 5 (CH) | 127.4 |
| 6 (C) | 136.1 |
| 7 (CH) | 32 |
| 8 (CH2) | 37.7 |
| 9 (CH2) | 26.2 |
| 10 (CH) | 124.3 |
| 11 (C) | 131.9 |
| 12 (CH3) | 17.8 |
| 13 (CH3) | 25.8 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 22.4 |
| 1a (C) | 164.1 |
| 1b (C) | 137.1 |
| 1c (CH) | 127.9 |
| 1d (CH) | 151 |
| 1e (CH) | 151 |
| 1f (CH) | 127.9 |
