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3.beta.-Formyl-4.alpha.-methyl-5.alpha.-cholestane
SpectraBase Compound ID JWU7gkJy54U
InChI InChI=1S/C29H50O/c1-19(2)8-7-9-20(3)24-12-13-26-23-10-11-25-21(4)22(18-30)14-16-29(25,6)27(23)15-17-28(24,26)5/h18-27H,7-17H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey FOJGIPHSIVKZHG-SFIYCSGQSA-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 7JrSxZdPrrq
Name 3.beta.-Formyl-4.alpha.-methyl-5.alpha.-cholestane
Alternate Name(s) (3beta,4alpha,5alpha)-4-methylcholestane-3-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)8-7-9-20(3)24-12-13-26-23-10-11-25-21(4)22(18-30)14-16-29(25,6)27(23)15-17-28(24,26)5/h18-27H,7-17H2,1-6H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey FOJGIPHSIVKZHG-SFIYCSGQSA-N
Molecular Weight 414.718 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@](C)([C@](CC1)(C=O)[H])[H])[H])[H])C
SPLASH splash10-0bt9-4970200000-6deee5dc0b65c29926f0
Source of Spectrum F-50-12638-6
Wiley ID 789996