Spektraris NMR
Ekebrrin C1
Common Name: Ekebrrin C1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-16,19-20H,6-7,9-10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
InChIKey: InChIKey=HUKMOJLAHVSCJE-OASIGRBWSA-N
Formula: C26H32O6
Molecular Weight: 440.529667
Exact Mass: 440.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Murata, T., Miyase, T., Muregi, F.W., Naoshima-Ishibashi, Y., Umehara, K., Warashina, T., Kanou, S., Mkoji, G.M., Terada, M., Ishih, A. J Nat Prod (2008) 71, 167-74
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 (CH2) | 38.5 |
| 2 (CH2) | 32.5 |
| 3 (C) | 214.5 |
| 4 (C) | 47.5 |
| 5 (CH) | 56 |
| 6 (CH2) | 37.1 |
| 7 (C) | 208.9 |
| 8 (C) | 53 |
| 9 (CH) | 51.8 |
| 10 (C) | 38.5 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 33.2 |
| 13 (C) | 37.5 |
| 14 (C) | 65.4 |
| 15 (CH) | 53.5 |
| 16 (C) | 166.8 |
| 17 (CH) | 78.1 |
| 18 (CH3) | 21 |
| 19 (CH3) | 16.8 |
| 20 (C) | 120.4 |
| 21 (CH) | 141 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143 |
| 28 (CH3) | 26.4 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 16.5 |
