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Cholest-5-en-3-yl 4-(3-hydroxy-4,4-dimethyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate

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

Cholest-5-en-3-yl 4-(3-hydroxy-4,4-dimethyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate
SpectraBase Compound ID 2Ya4nEFFKsl
InChI InChI=1S/C47H82NO4/c1-9-10-11-12-13-14-15-16-17-29-47(48(50)44(5,6)34-51-47)30-19-22-43(49)52-38-27-31-45(7)37(33-38)23-24-39-41-26-25-40(36(4)21-18-20-35(2)3)46(41,8)32-28-42(39)45/h23,35-36,38-42H,9-22,24-34H2,1-8H3
InChIKey QSEUZTNRQVKDEH-UHFFFAOYSA-N
Mol Weight 726.2 g/mol
Molecular Formula C47H83NO4
Exact Mass 725.63221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNOSZFAePzD
Name Cholest-5-en-3-yl 4-(3-hydroxy-4,4-dimethyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 724.624385120 u
Formula C47H82NO4
InChI InChI=1S/C47H82NO4/c1-9-10-11-12-13-14-15-16-17-29-47(48(50)44(5,6)34-51-47)30-19-22-43(49)52-38-27-31-45(7)37(33-38)23-24-39-41-26-25-40(36(4)21-18-20-35(2)3)46(41,8)32-28-42(39)45/h23,35-36,38-42H,9-22,24-34H2,1-8H3
InChIKey QSEUZTNRQVKDEH-UHFFFAOYSA-N
Molecular Weight 725.176 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC(OC(=O)CCCC2(N(C(C)(C)CO2)[O])CCCCCCCCCCC)C4)C)CCC1C(CCCC(C)C)C)C