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Cholestan-23-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID 27TIpNliNXw
InChI InChI=1S/C29H50O/c1-19(2)17-22(30)18-21(4)24-12-15-29(7)26-11-10-23-20(3)9-8-14-27(23,5)25(26)13-16-28(24,29)6/h19-21,23-26H,8-18H2,1-7H3/t20?,21-,23?,24-,25+,26-,27+,28-,29+/m1/s1
InChIKey XYMVXIGFLLCAIQ-APRHUTNDSA-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 3C1ZGVgKgnl
Name Cholestan-23-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)-
Alternate Name(s) 29-Norlanost-23-one 4,14-dimethylcholestan-23-one
CAS Registry Number 69219-49-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)17-22(30)18-21(4)24-12-15-29(7)26-11-10-23-20(3)9-8-14-27(23,5)25(26)13-16-28(24,29)6/h19-21,23-26H,8-18H2,1-7H3/t20?,21-,23?,24-,25+,26-,27+,28-,29+/m1/s1
InChIKey XYMVXIGFLLCAIQ-APRHUTNDSA-N
Molecular Weight 414.718 g/mol
SMILES [C@]12([C@@]([C@@]([C@@](CC(=O)CC(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCCC(C3CC[C@@]12[H])C)C)[H])C)C
SPLASH splash10-01ot-0397000000-218a449b9f1f74f54c10
Source of Spectrum AJ-59-1774-2
Wiley ID 1375825