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Cholestane, cyanamide deriv.
SpectraBase Compound ID BU73KMqaSpS
InChI InChI=1S/C28H48N2/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/h19-26,30H,6-17H2,1-5H3/t20-,21+,22-,23?,24-,25?,26?,27+,28-/m1/s1
InChIKey INDLCJHSVVDKMI-IJCQOEAOSA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H48N2
Exact Mass 412.38175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5D76icyfzsT
Name Cholestane, cyanamide deriv.
CAS Registry Number 111735-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48N2
InChI InChI=1S/C28H48N2/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/h19-26,30H,6-17H2,1-5H3/t20-,21+,22-,23?,24-,25?,26?,27+,28-/m1/s1
InChIKey INDLCJHSVVDKMI-IJCQOEAOSA-N
Molecular Weight 412.706 g/mol
SMILES N(C#N)[C@@]1(CC[C@@]2(C3CC[C@]4(C(C3CC[C@]2(C1)[H])CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C)[H]
SPLASH splash10-0a4i-0095300000-5138af8e6c23cc70170c
Source of Spectrum KC-1990-2425-55
Synonyms Cyanamide, [(3.alpha.,5.alpha.)-cholestan-3-yl]- (3alpha,5alpha)-cholestan-3-ylcyanamide 3.alpha.-cyanoamino-5.alpha.-cholestane[(5.alphal.-cholstan-3.alpha.-yl)cyanamide]
Wiley ID 1374698