| SpectraBase Spectrum ID |
99JsTT357c5 |
| Name |
3-(1'-Cyanoethylidene)-5.alpha.-cholestane |
| CAS Registry Number |
68550-52-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H49N |
| InChI |
InChI=1S/C30H49N/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-24-18-23(22(4)19-31)14-16-29(24,5)28(25)15-17-30(26,27)6/h20-21,24-28H,7-18H2,1-6H3/b23-22-/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
SFSYEKGGFRLVID-GFJVRACGSA-N |
| Molecular Weight |
423.729 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC\C(=C\(C#N)C)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00di-0060900000-fae9715affe14e162b3e |
| Source of Spectrum |
J-44-706-0 |
| Synonyms |
(2Z)-2-[(5alpha)-cholestan-3-ylidene]propanenitrile |
| Wiley ID |
1379028 |
