Spektraris NMR
Ekeberin B
Common Name: Ekeberin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-4-13-18(23)11-16-12-5-6-15-19(24)17(22)8-10-21(15,3)14(12)7-9-20(13,16)2/h6,12-14,16-17,19,22,24H,4-5,7-11H2,1-3H3/t12-,13+,14+,16+,17+,19-,20-,21-/m1/s1
InChIKey: InChIKey=JPSDYJDPCBWUOC-CBVOCQBDSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
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 : Steroids, Type : Pregnanes; 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) | 36.4 |
| 2 (CH2) | 24.9 |
| 3 (CH) | 72.1 |
| 4 (CH) | 76.8 |
| 5 (C) | 142.7 |
| 6 (CH) | 127.5 |
| 7 (CH2) | 31.7 |
| 8 (CH) | 30.6 |
| 9 (CH) | 49.9 |
| 10 (C) | 35.9 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 38.1 |
| 13 (C) | 41.5 |
| 14 (CH) | 50.6 |
| 15 (CH2) | 37.7 |
| 16 (C) | 218.9 |
| 17 (CH) | 64.8 |
| 18 (CH3) | 13 |
| 19 (CH3) | 20.7 |
| 20 (CH2) | 17.3 |
| 21 (CH3) | 13.1 |
