| SpectraBase Spectrum ID |
9uPTYBWf5Bs |
| Name |
3-(Dicyanomethylene)-5.alpha.-cholestane |
| Alternate Name(s) |
2-[(5alpha)-cholestan-3-ylidene]malononitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H46N2 |
| InChI |
InChI=1S/C30H46N2/c1-20(2)7-6-8-21(3)26-11-12-27-25-10-9-24-17-22(23(18-31)19-32)13-15-29(24,4)28(25)14-16-30(26,27)5/h20-21,24-28H,6-17H2,1-5H3/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
JSHDHNOUIHXVMP-OJMNJZCNSA-N |
| Molecular Weight |
434.712 g/mol |
| SMILES |
C1(CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)=C(C#N)C#N |
| SPLASH |
splash10-0089-0003900000-8e425d9909f86972162f |
| Source of Spectrum |
D8-337-145-13 |
| Wiley ID |
1551198 |
