Spektraris NMR
3, 5-Pregn-20-one-3-ol
Common Name: 3, 5-Pregn-20-one-3-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: InChIKey=AURFZBICLPNKBZ-FZCSVUEKSA-N
Formula: C21H34O2
Molecular Weight: 318.494249
Exact Mass: 318.25588
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) | 36.5 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 71.8 |
| 4 (CH2) | 34.6 |
| 5 (CH) | 40.6 |
| 6 (CH2) | 27.1 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 35.9 |
| 9 (CH) | 42.1 |
| 10 (C) | 34.7 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 39.3 |
| 13 (C) | 44.4 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 24.5 |
| 16 (CH2) | 23 |
| 17 (CH) | 63.9 |
| 18 (CH3) | 13.4 |
| 19 (CH3) | 23.3 |
| 20 (C) | 209.4 |
| 21 (CH3) | 31.5 |
