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5a-Cholestane-3a,5a-diol-3a-acetate
SpectraBase Compound ID 9kwGFhGXgPr
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3
InChIKey XGBHFLNWQIPOQW-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6obFfVxwnvz
Name 3.BETA.-ACETOXY-5.BETA.-CHOLESTAN-5-OL
Alternate Name(s) 5-HYDROXYCHOLESTAN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3
InChIKey XGBHFLNWQIPOQW-UHFFFAOYSA-N
Nominal Mass 446 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C(CCC3C4C(C(CC4)C(CCCC(C)C)C)(CCC13)C)(O)CC(OC(C)=O)CC2)C
SPLASH splash10-001i-6209000000-02fbd4745b2c2c88eeb8
Source File Reference LMCM-14077-793D
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany