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Undecanoic acid, 11-[bis(2-hydroxyethyl)amino]-, cholest-5-en-3-yl ester

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Undecanoic acid, 11-[bis(2-hydroxyethyl)amino]-, cholest-5-en-3-yl ester
SpectraBase Compound ID 3KYN8na1ERk
InChI InChI=1S/C42H75NO4/c1-32(2)15-14-16-33(3)37-20-21-38-36-19-18-34-31-35(22-24-41(34,4)39(36)23-25-42(37,38)5)47-40(46)17-12-10-8-6-7-9-11-13-26-43(27-29-44)28-30-45/h18,32-33,35-39,44-45H,6-17,19-31H2,1-5H3
InChIKey MEVWRVGJXHOBLO-UHFFFAOYSA-N
Mol Weight 658.1 g/mol
Molecular Formula C42H75NO4
Exact Mass 657.56961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lZH2lhyOMd
Name Undecanoic acid, 11-[bis(2-hydroxyethyl)amino]-, cholest-5-en-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 657.569609895 u
Formula C42H75NO4
InChI InChI=1S/C42H75NO4/c1-32(2)15-14-16-33(3)37-20-21-38-36-19-18-34-31-35(22-24-41(34,4)39(36)23-25-42(37,38)5)47-40(46)17-12-10-8-6-7-9-11-13-26-43(27-29-44)28-30-45/h18,32-33,35-39,44-45H,6-17,19-31H2,1-5H3
InChIKey MEVWRVGJXHOBLO-UHFFFAOYSA-N
SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCCCCCN(CCO)CCO