Spektraris NMR
Ekebergin D5
Common Name: Ekebergin D5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O6/c1-24(15-11-17-26(3)19-21-29(34)31(6,7)36)13-9-10-14-25(2)16-12-18-27(4)20-22-30(35)32(8,37)23-38-28(5)33/h13-14,17-18,29-30,34-37H,9-12,15-16,19-23H2,1-8H3/b24-13+,25-14+,26-17+,27-18+/t29-,30-,32+/m1/s1
InChIKey: InChIKey=NEHIFLHZEGCZTI-NOXODHDDSA-N
Formula: C32H56O6
Molecular Weight: 536.78466
Exact Mass: 536.40769
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) | 19.6 |
| 2 (C) | 73.8 |
| 3 (CH) | 73.8 |
| 4 (CH2) | 28.2 |
| 5 (CH2) | 36.4 |
| 6 (C) | 134.9 |
| 7 (CH) | 124.4 |
| 8 (CH2) | 26 |
| 9 (CH2) | 39.7 |
| 10 (C) | 134.9 |
| 11 (CH) | 124.4 |
| 12 (CH2) | 28.8 |
| 13 (CH2) | 28.2 |
| 14 (CH) | 125 |
| 15 (C) | 134.8 |
| 16 (CH2) | 39.6 |
| 17 (CH2) | 26.5 |
| 18 (CH) | 125.2 |
| 19 (C) | 134.6 |
| 20 (CH2) | 36.8 |
| 21 (CH2) | 29.7 |
| 22 (CH) | 78.3 |
| 23 (C) | 73 |
| 24 (CH3) | 23.3 |
| 25 (CH2) | 69 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 15.9 |
| 28 (CH3) | 16 |
| 29 (CH3) | 16 |
| 30 (CH3) | 26.4 |
| 25a (C) | 171.3 |
| 25b (CH3) | 20.8 |
