| SpectraBase Spectrum ID |
9jR1iwDXrqY |
| Name |
17.beta.-(Hydroxymethyl)-5.alpha.-androstano-18-nitrile |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.240564621 u |
| Formula |
C20H31NO |
| InChI |
InChI=1S/C20H31NO/c1-19-10-3-2-4-14(19)5-7-16-17(19)9-11-20(13-21)15(12-22)6-8-18(16)20/h14-18,22H,2-12H2,1H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1 |
| InChIKey |
RLNCNNDVNXINBF-JPDRSCFKSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502148 |
| Optical Rotation |
[a]D20 = +10 (CH2Cl2, 1 g/L) |
| Quality |
287 |
| Reported Formula |
C20H31NO |
| SMILES |
OC[C@@]1([C@]2(CC[C@@]3([C@]4(CCCC[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])C)[H])C#N)[H] |
| SPLASH |
splash10-03dm-4692000000-5dec294998dbd58999a8 |
| Source of Spectrum |
QE-21-12505-10 (DOI: 10.1002/chem.201502148) |
| Thin-Layer Chromatography |
0.37 (hexane/EtOAc, 2:1) |
| Wiley ID |
1909164 |
