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Cholan-12-one, (5.alpha.)-
SpectraBase Compound ID 6DZnpSvWlNL
InChI InChI=1S/C24H40O/c1-5-8-16(2)19-12-13-20-18-11-10-17-9-6-7-14-23(17,3)21(18)15-22(25)24(19,20)4/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey IBFJWYGUQHFWFX-NIRKWIOJSA-N
Mol Weight 344.6 g/mol
Molecular Formula C24H40O
Exact Mass 344.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BRHQDAhjEA
Name Cholan-12-one, (5.alpha.)-
CAS Registry Number 25829-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O
InChI InChI=1S/C24H40O/c1-5-8-16(2)19-12-13-20-18-11-10-17-9-6-7-14-23(17,3)21(18)15-22(25)24(19,20)4/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey IBFJWYGUQHFWFX-NIRKWIOJSA-N
Molecular Weight 344.583 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCC)(C)[H])[H])[H])C
SPLASH splash10-000x-3294000000-b4657b8ce65057d1f442
Source of Spectrum AN-92-161-0
Synonyms (5alpha)-cholan-12-one 2oR-epimer of 5.alpha.-cholan-12-one 5.alpha.-cholan-12-one
Wiley ID 1338407