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Cholestan-3-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID 5xxF0HoDQpo
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25-,27+,28-,29+/m1/s1
InChIKey ZDOBEOVUEWAEMZ-ALUQRIFQSA-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 5ARuHW0QRlt
Name Cholestan-3-one, 4,14-dimethyl-, (4.alpha.,5.alpha.)-
CAS Registry Number 106578-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25-,27+,28-,29+/m1/s1
InChIKey ZDOBEOVUEWAEMZ-ALUQRIFQSA-N
Molecular Weight 414.718 g/mol
SMILES [C@]12([C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC([C@]([C@@]3(CC[C@@]12[H])[H])(C)[H])=O)C)[H])C)C
SPLASH splash10-0a4i-0290000000-d149ecebceeed55bf43f
Source of Spectrum AJ-59-1774-7
Synonyms (4alpha,5alpha)-4,14-dimethylcholestan-3-one 29-Norlanostan-3-one
Wiley ID 1375827