Spektraris NMR
(S)-(+)-Curcudiol-1-O-isonicotinate
Common Name: (S)-(+)-Curcudiol-1-O-isonicotinate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H27NO3/c1-15-7-8-18(16(2)6-5-11-21(3,4)24)19(14-15)25-20(23)17-9-12-22-13-10-17/h7-10,12-14,16,24H,5-6,11H2,1-4H3/t16-/m0/s1
InChIKey: InChIKey=TYZKFILMQPLPNA-INIZCTEOSA-N
Formula: C21H27N1O3
Molecular Weight: 341.444812
Exact Mass: 341.199094
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 (CH) | 122.8 |
| 3 (C) | 137 |
| 4 (CH) | 123.4 |
| 5 (CH) | 127.4 |
| 6 (C) | 136 |
| 7 (CH) | 32.8 |
| 8 (CH2) | 38.1 |
| 9 (CH2) | 29.4 |
| 10 (CH2) | 44 |
| 11 (C) | 71.1 |
| 12 (CH3) | 29.5 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 21.7 |
| 1a (C) | 164 |
| 1b (C) | 137.1 |
| 1c (CH) | 127.9 |
| 1d (CH) | 151.1 |
| 1e (CH) | 151.1 |
| 1f (CH) | 127.9 |
