Spektraris NMR
limonin
Common Name: limonin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKey: InChIKey=KBDSLGBFQAGHBE-MSGMIQHVSA-N
Formula: C26H30O8
Molecular Weight: 470.512595
Exact Mass: 470.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Breksa, A.P., III, Dragull, K., Wong, R.Y. J Agric Food Chem (2008) 56, 5595-8
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 (CH) | 79.2 |
| 2 (CH2) | 35.7 |
| 3 (C) | 169 |
| 4 (C) | 80.3 |
| 5 (CH) | 60.7 |
| 6 (CH2) | 36.4 |
| 7 (C) | 206 |
| 8 (C) | 51.4 |
| 9 (CH) | 48.2 |
| 10 (C) | 46 |
| 11 (CH2) | 19 |
| 12 (CH2) | 30.9 |
| 13 (C) | 38 |
| 14 (C) | 65.7 |
| 15 (CH) | 53.9 |
| 16 (C) | 166.5 |
| 17 (CH) | 77.8 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 65.4 |
| 20 (C) | 120.1 |
| 21 (CH) | 143.3 |
| 22 (CH) | 109.7 |
| 23 (CH) | 141.2 |
| 28 (CH3) | 30.2 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 17.7 |
