Spektraris NMR
Nitenin
Common Name: Nitenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O4/c1-16(4-2-5-17-8-10-23-14-17)12-20-13-19(21(22)25-20)7-3-6-18-9-11-24-15-18/h7-12,14-15,20H,2-6,13H2,1H3/b16-12+,19-7+/t20-/m0/s1
InChIKey: InChIKey=YHLJEGITRQRPJZ-VSNLYMCCSA-N
Formula: C21H24O4
Molecular Weight: 340.413652
Exact Mass: 340.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, A., Albarella, L., Scognamiglio, G., Uriz, M., Cimino, G. J Nat Prod (1996) 59, 869-72
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (CH) | 142.87 |
| 2 (CH) | 110.93 |
| 3 (C) | 123.87 |
| 4 (CH) | 139.06 |
| 5 (CH2) | 24.23 |
| 6 (CH2) | 27.51 |
| 7 (CH) | 142.07 |
| 8 (C) | 125.67 |
| 9 (C) | 169.74 |
| 10 (CH2) | 36.46 |
| 11 (CH) | 74.05 |
| 12 (CH) | 123.38 |
| 13 (C) | 142.64 |
| 14 (CH3) | 16.71 |
| 15 (CH2) | 38.84 |
| 16 (CH2) | 27.69 |
| 17 (CH2) | 24.23 |
| 18 (C) | 124.66 |
| 19 (CH) | 138.87 |
| 20 (CH) | 110.89 |
| 21 (CH) | 142.76 |
