Spektraris NMR
Pregn-4-ene-3, 20-dione
Common Name: Pregn-4-ene-3, 20-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: InChIKey=RJKFOVLPORLFTN-LEKSSAKUSA-N
Formula: C21H30O2
Molecular Weight: 314.462486
Exact Mass: 314.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qi, S.H., Zhang, S., Yang, L.H., Qian, P.Y. Nat Prod Res (2008) 22, 154-66
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) | 35.7 |
| 2 (CH2) | 34 |
| 3 (C) | 199.2 |
| 4 (CH) | 124 |
| 5 (C) | 170.7 |
| 6 (CH2) | 32 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 35.6 |
| 9 (CH) | 53.8 |
| 10 (C) | 38.6 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 38.7 |
| 13 (C) | 43.9 |
| 14 (CH) | 56.1 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 23 |
| 17 (CH) | 63.6 |
| 18 (CH3) | 13.3 |
| 19 (CH3) | 17.4 |
| 20 (C) | 209 |
| 21 (CH3) | 31.4 |
