Spektraris NMR
Ekebergin D3
Common Name: Ekebergin D3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H54O5/c1-22(14-11-15-24(3)16-18-25(31)28(4,5)33)12-9-10-13-23(2)17-19-26(32)30(8)21-20-27(35-30)29(6,7)34/h12-13,15,25-27,31-34H,9-11,14,16-21H2,1-8H3/b22-12+,23-13+,24-15+/t25-,26-,27-,30+/m1/s1
InChIKey: InChIKey=TWLPOABITNDBEQ-LQPRBJADSA-N
Formula: C30H54O5
Molecular Weight: 494.747902
Exact Mass: 494.397125
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 : Squalenes; 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 (CH3) | 27.8 |
| 2 (C) | 72.3 |
| 3 (CH) | 84.7 |
| 4 (CH2) | 26.7 |
| 5 (CH2) | 31.6 |
| 6 (C) | 86.7 |
| 7 (CH) | 77 |
| 8 (CH2) | 30.1 |
| 9 (CH2) | 37 |
| 10 (C) | 135.2 |
| 11 (CH) | 125.1 |
| 12 (CH2) | 28.4 |
| 13 (CH2) | 28.4 |
| 14 (CH) | 124.7 |
| 15 (C) | 135.2 |
| 16 (CH2) | 40 |
| 17 (CH2) | 30 |
| 18 (CH) | 125.2 |
| 19 (C) | 135.1 |
| 20 (CH2) | 37.2 |
| 21 (CH2) | 30.8 |
| 22 (CH) | 78.5 |
| 23 (C) | 73.3 |
| 24 (CH3) | 24 |
| 25 (CH3) | 25.6 |
| 26 (CH3) | 23.6 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 16.3 |
| 30 (CH3) | 26.6 |
