For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cholestane, cyanamide deriv.
SpectraBase Compound ID 8r3UOmOKiU6
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/h13,15,19-26,30H,6-12,14,16-17H2,1-5H3/t20-,21+,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey RUWIZJFRRGSQDI-UIALXTEESA-N
Mol Weight 410.7 g/mol
Molecular Formula C28H46N2
Exact Mass 410.366099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3M8mD0PN7wg
Name Cholestane, cyanamide deriv.
CAS Registry Number 109058-95-9
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/h13,15,19-26,30H,6-12,14,16-17H2,1-5H3/t20-,21+,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey RUWIZJFRRGSQDI-UIALXTEESA-N
Molecular Weight 410.690 g/mol
SMILES N(C#N)[C@]1(C[C@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C=C1)C)[H])[H]
SPLASH splash10-0900-0067900000-2b615cc908f83b89df4a
Source of Spectrum KC-1990-2426-4
Synonyms Cyanamide, [(3.alpha.,5.alpha.)-cholest-1-en-3-yl]- (3alpha,5alpha)-cholest-1-en-3-ylcyanamide 3.alpha.-cyanoamino-5.alpha.-cholest-1-ene
Wiley ID 1373874