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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1h2YcgUowPb
Name Cholest-5-en-3-yl 4-(3-hydroxy-4,4-dimethyl-2-undecyl-1,3-oxazolidin-2-yl)butanoate
Alternate Name(s) 3.beta.-(2-(3-carboxypropyl)-2-undecyl-4,4-dimethyl-1,3-oxazolidin-2-yl)-cholest-5-ene N-oxide 3.beta.-(2-undecyl-4,4-dimethyl-1,3-oxazolidin-2-yl)-propanecarboxy)-cholest-5-ene N-oxyl
CAS Registry Number 69804-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 726.184 g/mol
SMILES ON1C(CCCC(OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(CCCC(C)C)C)C)C)=O)(OCC1(C)C)CCCCCCCCCCC
SPLASH splash10-0gbi-0249030000-f2e6814fc69eedbfe1e1
Source of Spectrum W5-1989-10244-1
Wiley ID 1415762