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5'-Aminothieno[2',3' : 2,3]-5.alpha.-cholestan-4'-carbonitrile

View entire compound with spectra: 1 MS (GC)

5'-Aminothieno[2',3' : 2,3]-5.alpha.-cholestan-4'-carbonitrile
SpectraBase Compound ID 6ZpYRCK4lqJ
InChI InChI=1S/C30H46N2S/c1-18(2)7-6-8-19(3)24-11-12-25-21-10-9-20-15-22-23(17-31)28(32)33-27(22)16-30(20,5)26(21)13-14-29(24,25)4/h18-21,24-26H,6-16,32H2,1-5H3/t19-,20?,21?,24-,25?,26?,29-,30+/m1/s1
InChIKey LWDVCKJNDFQSTC-HEHSQJATSA-N
Mol Weight 466.8 g/mol
Molecular Formula C30H46N2S
Exact Mass 466.338171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTekDnQpz3G
Name 5'-Aminothieno[2',3' : 2,3]-5.alpha.-cholestan-4'-carbonitrile
Alternate Name(s) (1R,10aS,12aR)-8-amino-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[3,2-b]thiophene-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46N2S
InChI InChI=1S/C30H46N2S/c1-18(2)7-6-8-19(3)24-11-12-25-21-10-9-20-15-22-23(17-31)28(32)33-27(22)16-30(20,5)26(21)13-14-29(24,25)4/h18-21,24-26H,6-16,32H2,1-5H3/t19-,20?,21?,24-,25?,26?,29-,30+/m1/s1
InChIKey LWDVCKJNDFQSTC-HEHSQJATSA-N
Molecular Weight 466.772 g/mol
SMILES Nc1c(c2c(C[C@]3(C(C2)CCC2C4CC[C@@]([C@]4(CCC32)C)([C@@](CCCC(C)C)(C)[H])[H])C)s1)C#N
SPLASH splash10-0uxr-0902700000-97a98d69d23384d49b57
Source of Spectrum D8-337-144-2
Wiley ID 1551204