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N-Acetyl-N-methyl-3-aminocholestane ( 3 .beta.)
SpectraBase Compound ID FdLNp7Wyybm
InChI InChI=1S/C30H53NO/c1-20(2)9-8-10-21(3)26-13-14-27-25-12-11-23-19-24(31(7)22(4)32)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-21,23-28H,8-19H2,1-7H3
InChIKey ATBWZSYTHJUAJE-UHFFFAOYSA-N
Mol Weight 443.8 g/mol
Molecular Formula C30H53NO
Exact Mass 443.412715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEpgCEzWNwL
Name N-Acetyl-N-methyl-3-aminocholestane ( 3 .beta.)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.412715330 u
Formula C30H53NO
InChI InChI=1S/C30H53NO/c1-20(2)9-8-10-21(3)26-13-14-27-25-12-11-23-19-24(31(7)22(4)32)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-21,23-28H,8-19H2,1-7H3
InChIKey ATBWZSYTHJUAJE-UHFFFAOYSA-N
Molecular Weight 443.760 g/mol
SMILES CC(C)CCCC(C)C1CCC2C1(C)CCC1C3(C)CCC(N(C(=O)C)C)CC3CCC21