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3b-Hydroxy-5a-cholestan-6-one
SpectraBase Compound ID C4Tsg1TayCQ
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3
InChIKey JQMQKOQOLPGBBE-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47WV9uiAxhE
Name 3.BETA.-HYDROXY-5.ALPHA.-CHOLESTAN-6-ONE
Alternate Name(s) 3-HYDROXYCHOLESTAN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3
InChIKey JQMQKOQOLPGBBE-UHFFFAOYSA-N
Nominal Mass 402 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC(O)CC2C(CC2C3C(C)(C(CC3)C(C)CCCC(C)C)CCC12)=O
SPLASH splash10-0udj-9430500000-5c90f7bb1e5d95e1e59d
Source File Reference LMCM-47654-622Y
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany