| SpectraBase Spectrum ID |
BvTy804NtWL |
| Name |
Acetonitrile, [(3Z)-cholest-4-en-3-ylidene](1,1-dimethylethoxy)- |
| Alternate Name(s) |
3-(cyano-butoxymethylene)-4-cholestene
5-{[(E)-cholest-4-en-3-ylidenemethyl]oxy}pentanenitrile
Cholestane, acetonitrile deriv. |
| CAS Registry Number |
62115-00-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H53NO |
| InChI |
InChI=1S/C33H53NO/c1-24(2)10-9-11-25(3)29-14-15-30-28-13-12-27-22-26(23-35-21-8-6-7-20-34)16-18-32(27,4)31(28)17-19-33(29,30)5/h22-25,28-31H,6-19,21H2,1-5H3/b26-23+/t25-,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey |
PJPXQLSUTJJCPV-RDFGASBSSA-N |
| Molecular Weight |
479.793 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC\C(=C/OCCCCC#N)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0a4i-9300200000-bbe14fd6134e07d256c7 |
| Source of Spectrum |
C-99-185-0 |
| Wiley ID |
1395065 |
-](/api/spectrum/BvTy804NtWL/structure.png?h=300&w=458 "Acetonitrile, [(3Z)-cholest-4-en-3-ylidene](1,1-dimethylethoxy)-")
