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Cholest-5-en-3-one 3-(2-aminoethylamino)propenylene acetal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Cholest-5-en-3-one 3-(2-aminoethylamino)propenylene acetal
SpectraBase Compound ID 1ME2s2K34G2
InChI InChI=1S/C32H56N2O2/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-19-32(35-21-25(36-32)20-34-18-17-33)16-15-30(24,4)29(26)13-14-31(27,28)5/h9,22-23,25-29,34H,6-8,10-21,33H2,1-5H3
InChIKey FSFUHMHPKUIZFA-UHFFFAOYSA-N
Mol Weight 500.8 g/mol
Molecular Formula C32H56N2O2
Exact Mass 500.434179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3kn8RMW2oN2
Name Cholest-5-en-3-one 3-(2-aminoethylamino)propenylene acetal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.434179049 u
Formula C32H56N2O2
InChI InChI=1S/C32H56N2O2/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-19-32(35-21-25(36-32)20-34-18-17-33)16-15-30(24,4)29(26)13-14-31(27,28)5/h9,22-23,25-29,34H,6-8,10-21,33H2,1-5H3
InChIKey FSFUHMHPKUIZFA-UHFFFAOYSA-N
Molecular Weight 500.812 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC2(OC(CNCCN)CO2)C4)C)CCC1C(CCCC(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925478