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19-Norcholestan-3-one, (5.alpha.,10.alpha.)-
SpectraBase Compound ID Gd5uByWSHeJ
InChI InChI=1S/C26H44O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h17-19,21-25H,5-16H2,1-4H3/t18-,19+,21-,22-,23-,24-,25+,26-/m1/s1
InChIKey MNVHJLHYIJWMCX-SROSABIOSA-N
Mol Weight 372.6 g/mol
Molecular Formula C26H44O
Exact Mass 372.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kjcuuia8HW
Name 19-Norcholestan-3-one, (5.alpha.,10.alpha.)-
CAS Registry Number 130782-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O
InChI InChI=1S/C26H44O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h17-19,21-25H,5-16H2,1-4H3/t18-,19+,21-,22-,23-,24-,25+,26-/m1/s1
InChIKey MNVHJLHYIJWMCX-SROSABIOSA-N
Molecular Weight 372.637 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(CCC(=O)C4)[H])[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-01b9-0296000000-bb5ca14ef1a6bf09a5cf
Source of Spectrum KC-1990-2203-29
Synonyms (5alpha,10alpha,17beta)-17-[(1R)-1,5-dimethylhexyl]estran-3-one 19-nor-5.alpha.,10.beta.-cholestan-3-one
Wiley ID 1355912