Spektraris NMR
granatoine
Common Name: granatoine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H27NO6/c1-24(2)18-11-20(29)33-26(18,4)21-15(22(24)30)9-14-16-10-19(28)32-23(13-6-8-31-12-13)25(16,3)7-5-17(14)27-21/h6,8-10,12,18,22-23,30H,5,7,11H2,1-4H3/t18-,22-,23+,25-,26-/m1/s1
InChIKey: InChIKey=XKLARMZOADMPPA-BXFPRZKISA-N
Formula: C26H27N1O6
Molecular Weight: 449.496706
Exact Mass: 449.183838
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, J., Ouyang, J., Deng, A., Lin, W. Magn Reson Chem (2008) 46, 894-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 156.6 |
| 2 (C) | 130.5 |
| 3 (CH) | 75.7 |
| 4 (C) | 36.3 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 31 |
| 7 (C) | 175.1 |
| 8 (C) | 124.3 |
| 9 (C) | 158.2 |
| 10 (C) | 84.1 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 30.3 |
| 13 (C) | 37.6 |
| 14 (C) | 157.1 |
| 15 (CH) | 111.2 |
| 16 (C) | 165.1 |
| 17 (CH) | 80.9 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 27.9 |
| 20 (C) | 120 |
| 21 (CH) | 143.3 |
| 22 (CH) | 110.1 |
| 23 (CH) | 141.8 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 23.5 |
| 30 (CH) | 133.9 |
