Spektraris NMR
Ekebergin D4
Common Name: Ekebergin D4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H54O6/c1-21(13-15-23(31)29(7)19-17-25(35-29)27(3,4)33)11-9-10-12-22(2)14-16-24(32)30(8)20-18-26(36-30)28(5,6)34/h11-12,23-26,31-34H,9-10,13-20H2,1-8H3/b21-11+,22-12+/t23-,24-,25-,26-,29+,30+/m1/s1
InChIKey: InChIKey=PIXGUMZAPNRCDR-SFCCXYMXSA-N
Formula: C30H54O6
Molecular Weight: 510.747307
Exact Mass: 510.392039
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) | 25.3 |
| 2 (C) | 71.9 |
| 3 (CH) | 84.5 |
| 4 (CH2) | 26.9 |
| 5 (CH2) | 31.5 |
| 6 (C) | 86.3 |
| 7 (CH) | 76.6 |
| 8 (CH2) | 30.3 |
| 9 (CH2) | 36.6 |
| 10 (C) | 135.1 |
| 11 (CH) | 125 |
| 12 (CH2) | 28.1 |
| 13 (CH2) | 28.1 |
| 14 (CH) | 125 |
| 15 (C) | 135.1 |
| 16 (CH2) | 36.6 |
| 17 (CH2) | 30.3 |
| 18 (CH) | 76.6 |
| 19 (C) | 86.3 |
| 20 (CH2) | 31.5 |
| 21 (CH2) | 26.9 |
| 22 (CH) | 84.5 |
| 23 (C) | 71.9 |
| 24 (CH3) | 25.3 |
| 25 (CH3) | 27.5 |
| 26 (CH3) | 23.6 |
| 27 (CH3) | 16 |
| 28 (CH3) | 16 |
| 29 (CH3) | 23.6 |
| 30 (CH3) | 27.5 |
