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

*Links on SpectraBase are not permalinks.
Cholestane, cyanamide deriv.
SpectraBase Compound ID QzzluOcesb
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-DHFGWXGFSA-N
Mol Weight 567.8 g/mol
Molecular Formula C34H52N2Se
Exact Mass 568.329572 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 58fxoMdb1q4
Name Cholestane, cyanamide deriv.
CAS Registry Number 111735-19-4
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-DHFGWXGFSA-N
Molecular Weight 567.776 g/mol
SMILES N(C#N)[C@]1(C[C@]2([C@@](C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])CC2)(C[C@@]1([Se]c1ccccc1)[H])C)[H])[H]
SPLASH splash10-02t9-0004940000-e83731a60e55a6666b1b
Source of Spectrum KC-1990-2423-41
Synonyms Cyanamide, [(2.beta.,3.alpha.,5.alpha.)-2-(phenylseleno)cholestan-3-yl]- (2beta,3alpha,5alpha)-2-(phenylselanyl)cholestan-3-ylcyanamide 2.beta.-cyanoamino-3.alpha.-phenyldeleno-5.lapha.-cholestane
Wiley ID 1407555