Spektraris NMR
Ekeberin A
Common Name: Ekeberin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(2)30-17-16-29(18-32-30)15-14-27(6)20(24(29)33-30)8-9-22-26(5)12-11-23(31)25(3,4)21(26)10-13-28(22,27)7/h19-22,24H,8-18H2,1-7H3/t20-,21+,22-,24-,26+,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=KPGLSDWWUAAHSQ-YEARVDFDSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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 : Miscellanea; 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) | 39.8 |
| 2 (CH2) | 34 |
| 3 (C) | 217.7 |
| 4 (C) | 47.2 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40.7 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 39.4 |
| 14 (C) | 41.4 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 28.5 |
| 17 (C) | 31.4 |
| 18 (CH) | 78.7 |
| 19 (C) | 97.5 |
| 20 (CH) | 35.4 |
| 21 (CH2) | 27.6 |
| 22 (CH2) | 32.8 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 20.9 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 15.6 |
| 27 (CH3) | 14.2 |
| 28 (CH2) | 69.2 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 17.1 |
