Acetonitrile, [(3Z)-cholest-4-en-3-ylidene](1,1-dimethylethoxy)-

SpectraBase Compound ID	6ycC36MRNhv
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 Google Search
Mol Weight	479.8 g/mol
Molecular Formula	C33H53NO
Exact Mass	479.412715 g/mol

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SpectraBase Spectrum ID	BvTy804NtWL
Name	Acetonitrile, [(3Z)-cholest-4-en-3-ylidene](1,1-dimethylethoxy)-
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
Synonyms	3-(cyano-butoxymethylene)-4-cholestene 5-{[(E)-cholest-4-en-3-ylidenemethyl]oxy}pentanenitrile Cholestane, acetonitrile deriv.
Wiley ID	1395065