| SpectraBase Spectrum ID |
HGLQKDvpnVY |
| Name |
17-Oxo-5.alpha.-androstano-18-nitrile |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.209264492 u |
| Formula |
C19H27NO |
| InChI |
InChI=1S/C19H27NO/c1-18-10-3-2-4-13(18)5-6-14-15(18)9-11-19(12-20)16(14)7-8-17(19)21/h13-16H,2-11H2,1H3/t13-,14-,15+,16+,18+,19-/m1/s1 |
| InChIKey |
VHQTYNYQQRKGOV-ZFSNVMTLSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502148 |
| Optical Rotation |
[a]D20 = +56.7 (CH2Cl2, 1 g/L) |
| Quality |
254 |
| Reported Formula |
C19H27NO |
| SMILES |
C1C[C@]2([C@](CC1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C#N)[H])[H])[H])C |
| SPLASH |
splash10-0bt9-6930000000-c1a49d6587dd299ac794 |
| Source of Spectrum |
QE-21-12506-14 (DOI: 10.1002/chem.201502148) |
| Wiley ID |
1909166 |
