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Chol-7-en-24-amide, 3-hydroxy-N,N-dimethyl-, (3.alpha.,5.beta.)-
SpectraBase Compound ID A8IGxlQTz6m
InChI InChI=1S/C26H43NO2/c1-17(6-11-24(29)27(4)5)21-9-10-22-20-8-7-18-16-19(28)12-14-25(18,2)23(20)13-15-26(21,22)3/h8,17-19,21-23,28H,6-7,9-16H2,1-5H3/t17-,18-,19-,21-,22+,23+,25+,26-/m1/s1
InChIKey WLXLJAZGWKZRNG-WQUACLHYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C26H43NO2
Exact Mass 401.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7qQCiUXUac
Name Chol-7-en-24-amide, 3-hydroxy-N,N-dimethyl-, (3.alpha.,5.beta.)-
Alternate Name(s) (3alpha,5beta)-3-hydroxy-N,N-dimethylchol-7-en-24-amide 3.alpha.-hydroxy-25-aza-5.beta.-cholest-7-en-24-one
CAS Registry Number 81594-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO2
InChI InChI=1S/C26H43NO2/c1-17(6-11-24(29)27(4)5)21-9-10-22-20-8-7-18-16-19(28)12-14-25(18,2)23(20)13-15-26(21,22)3/h8,17-19,21-23,28H,6-7,9-16H2,1-5H3/t17-,18-,19-,21-,22+,23+,25+,26-/m1/s1
InChIKey WLXLJAZGWKZRNG-WQUACLHYSA-N
Molecular Weight 401.635 g/mol
SMILES O[C@]1(C[C@]2(CC=C3[C@]4([C@]([C@@]([C@@](CCC(N(C)C)=O)(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H])[H]
SPLASH splash10-0uxr-0005900000-7d82106e7072d3e68d7f
Source of Spectrum B-34-2617-0
Wiley ID 1370063