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Cholest-24-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID 5KzX3WxhExO
InChI InChI=1S/C29H50O/c1-19(2)26(30)13-10-21(4)23-14-17-29(7)25-12-11-22-20(3)9-8-16-27(22,5)24(25)15-18-28(23,29)6/h19-25H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25-,27+,28-,29+/m1/s1
InChIKey PYYOEQZGTHCYTO-WOCYGNIHSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdHNyKbypdA
Name Cholest-24-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)-
Alternate Name(s) (4alpha,5alpha)-4,14-dimethylcholestan-24-one 29-Norlanostan-24-one
CAS Registry Number 106578-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)26(30)13-10-21(4)23-14-17-29(7)25-12-11-22-20(3)9-8-16-27(22,5)24(25)15-18-28(23,29)6/h19-25H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25-,27+,28-,29+/m1/s1
InChIKey PYYOEQZGTHCYTO-WOCYGNIHSA-N
Molecular Weight 414.718 g/mol
SMILES [C@]12([C@@]([C@@]([C@@](CCC(=O)C(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC[C@]([C@@]3(CC[C@@]12[H])[H])(C)[H])C)[H])C)C
SPLASH splash10-01ot-0190100000-722d94fb357ae433b794
Source of Spectrum AJ-59-1771-1
Wiley ID 1375822