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Cholestane, cyanamide deriv.
SpectraBase Compound ID JTObuBMTt7u
InChI InChI=1S/C34H52N2Se/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-25-20-31(36-22-35)32(37-26-12-7-6-8-13-26)21-34(25,5)30(27)18-19-33(28,29)4/h6-8,12-13,23-25,27-32,36H,9-11,14-21H2,1-5H3/t24-,25+,27+,28-,29+,30+,31+,32+,33-,34+/m1/s1
InChIKey HOPYURCVPRGFRE-UAZZBPAMSA-N
Mol Weight 567.8 g/mol
Molecular Formula C34H52N2Se
Exact Mass 568.329572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUqWuH2TNtL
Name Cholestane, cyanamide deriv.
CAS Registry Number 111735-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52N2Se
InChI InChI=1S/C34H52N2Se/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-25-20-31(36-22-35)32(37-26-12-7-6-8-13-26)21-34(25,5)30(27)18-19-33(28,29)4/h6-8,12-13,23-25,27-32,36H,9-11,14-21H2,1-5H3/t24-,25+,27+,28-,29+,30+,31+,32+,33-,34+/m1/s1
InChIKey HOPYURCVPRGFRE-UAZZBPAMSA-N
Molecular Weight 567.776 g/mol
SMILES N(C#N)[C@]1(C[C@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(C[C@@]1([Se]c1ccccc1)[H])C)[H])[H]
SPLASH splash10-02t9-0004960000-7e9ce07bdeea5e9ce044
Source of Spectrum KC-1990-2423-40
Synonyms Cyanamide, [(2.beta.,3.alpha.,5.alpha.)-3-(phenylseleno)cholestan-2-yl]- (2beta,3alpha,5alpha)-2-(phenylselanyl)cholestan-3-ylcyanamide 3.alpha.-cyanoamino-2.beta.-phenylseleno-5.alpha.-cholestane
Wiley ID 1407554