| SpectraBase Spectrum ID |
6OPRO150u3a |
| Name |
Acetonitrile, (acetyloxy)[(3E)-cholest-4-en-3-ylidene]- |
| CAS Registry Number |
62115-38-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H47NO2 |
| InChI |
InChI=1S/C31H47NO2/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-24-19-23(20-34-29(33)15-18-32)13-16-30(24,4)28(25)14-17-31(26,27)5/h19-22,25-28H,6-17H2,1-5H3/b23-20+/t22-,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey |
IWGLJNDHRHMART-ZZBYIAFPSA-N |
| Molecular Weight |
465.722 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC\C(=C/OC(CC#N)=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00di-1000900000-9d439738e395e892e035 |
| Source of Spectrum |
C-99-185-0 |
| Synonyms |
(E)-cholest-4-en-3-ylidenemethyl cyanoacetate
3-(cyano-acetoxymethylene)-4-cholestene
Cholestane, acetonitrile deriv. |
| Wiley ID |
1391778 |
![Acetonitrile, (acetyloxy)[(3E)-cholest-4-en-3-ylidene]-](/api/spectrum/6OPRO150u3a/structure.png?h=300&w=458 "Acetonitrile, (acetyloxy)[(3E)-cholest-4-en-3-ylidene]-")
