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Cholestane, cyanamide deriv.
SpectraBase Compound ID 6mRSAY0wakH
InChI InChI=1S/C30H52N2O2/c1-20(2)8-7-9-21(3)24-10-11-25-23-17-28(32-18-31)27-16-22(34-19-33-6)12-14-30(27,5)26(23)13-15-29(24,25)4/h20-28,32H,7-17,19H2,1-6H3/t21-,22+,23?,24-,25?,26?,27-,28-,29-,30-/m1/s1
InChIKey MKMUFGTYOVQQOD-ILPRSSQOSA-N
Mol Weight 472.8 g/mol
Molecular Formula C30H52N2O2
Exact Mass 472.402879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVWI6EcU7AT
Name Cholestane, cyanamide deriv.
CAS Registry Number 98006-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52N2O2
InChI InChI=1S/C30H52N2O2/c1-20(2)8-7-9-21(3)24-10-11-25-23-17-28(32-18-31)27-16-22(34-19-33-6)12-14-30(27,5)26(23)13-15-29(24,25)4/h20-28,32H,7-17,19H2,1-6H3/t21-,22+,23?,24-,25?,26?,27-,28-,29-,30-/m1/s1
InChIKey MKMUFGTYOVQQOD-ILPRSSQOSA-N
Molecular Weight 472.758 g/mol
SMILES N(C#N)[C@@]1(CC2C([C@@]3([C@@]1(C[C@](CC3)(OCOC)[H])[H])C)CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CCC21)[H])C)[H]
SPLASH splash10-03k9-0002900000-134c2aa758af837e6102
Source of Spectrum KC-1987-940-6
Synonyms Cyanamide, [(3.beta.,5.alpha.,6.beta.)-3-(methoxymethoxy)cholestan-6-yl]- (3beta,5alpha,6beta)-3-(methoxymethoxy)cholestan-6-ylcyanamide 3.beta.-methoxymethoxy-5.alpha.-cholestan-6.beta.-ylcyanamide
Wiley ID 1393500