| SpectraBase Spectrum ID |
1x9BGaQRSUU |
| Name |
5.alpha.-Pregn-17(20)-ene-2-carbonitrile |
| Alternate Name(s) |
(5alpha,17E)-pregn-17-ene-2-carbonitrile |
| CAS Registry Number |
68550-50-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H33N |
| InChI |
InChI=1S/C22H33N/c1-4-16-8-10-19-18-9-7-17-6-5-15(14-23)13-22(17,3)20(18)11-12-21(16,19)2/h4,15,17-20H,5-13H2,1-3H3/b16-4+/t15?,17-,18+,19+,20+,21-,22+/m1/s1 |
| InChIKey |
NGNXMAQBNIJIST-RAJLXVFCSA-N |
| Molecular Weight |
311.513 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC\C([C@]4(CC3)C)=C/C)[H])([H])CC[C@]2(CCC(C#N)C1)[H])[H])C |
| SPLASH |
splash10-0bt9-0914000000-cea592c7b82db811ccc8 |
| Source of Spectrum |
J-44-706-0 |
| Wiley ID |
1312743 |
