Spektraris NMR
5-Pregn-3, 20-dione
Common Name: 5-Pregn-3, 20-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O2/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/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: InChIKey=XMRPGKVKISIQBV-BJMCWZGWSA-N
Formula: C21H32O2
Molecular Weight: 316.478368
Exact Mass: 316.24023
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) | 37 |
| 2 (CH2) | 39 |
| 3 (C) | 212.7 |
| 4 (CH2) | 42.3 |
| 5 (CH) | 40.9 |
| 6 (CH2) | 25.8 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 35.6 |
| 9 (CH) | 44.2 |
| 10 (C) | 35 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 37.1 |
| 13 (C) | 44.4 |
| 14 (CH) | 56.7 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 23 |
| 17 (CH) | 63.8 |
| 18 (CH3) | 13.4 |
| 19 (CH3) | 22.6 |
| 20 (C) | 209.1 |
| 21 (CH3) | 31.4 |
