3.alpha.-[N-(Cyanoamino)]-3H-cholest-3-ene

SpectraBase Compound ID	GtFqyszydxT
InChI	InChI=1S/C28H46N2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h17,19-20,22-26,30H,6-16H2,1-5H3/t20?,22?,23?,24?,25?,26?,27-,28+/m0/s1
InChIKey	CXESYAYDMXVPEZ-KZTPHDLDSA-N Google Search
Mol Weight	410.7 g/mol
Molecular Formula	C28H46N2
Exact Mass	410.366099 g/mol

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SpectraBase Spectrum ID	KncPwk1MluK
Name	3.alpha.-[N-(Cyanoamino)]-3H-cholest-3-ene
Alternate Name(s)	cholest-4-en-3-ylcyanamide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46N2
InChI	InChI=1S/C28H46N2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h17,19-20,22-26,30H,6-16H2,1-5H3/t20?,22?,23?,24?,25?,26?,27-,28+/m0/s1
InChIKey	CXESYAYDMXVPEZ-KZTPHDLDSA-N
Molecular Weight	410.690 g/mol
SMILES	N(C#N)C1CC[C@@]2(C3CC[C@]4(C(C3CCC2=C1)CCC4C(CCCC(C)C)C)C)C
SPLASH	splash10-014i-0009100000-d7e774eed500b2f0693b
Source of Spectrum	SO-0-1056-2
Wiley ID	1539094