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Cholestane-3b,5a,6b-triol
SpectraBase Compound ID 4bY1zTWTcE4
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3
InChIKey YMMFNKXZULYSOQ-UHFFFAOYSA-N
Mol Weight 420.7 g/mol
Molecular Formula C27H48O3
Exact Mass 420.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbLGegb6G72
Name 3.BETA.,5.ALPHA.,6.BETA.-TRIHYDROXY-CHOLESTAN
Alternate Name(s) CHOLESTANE-3,5,6-TRIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H48O3
InChI InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3
InChIKey YMMFNKXZULYSOQ-UHFFFAOYSA-N
Nominal Mass 420 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C(O)(CC(CC2)O)C(CC2C3C(C(CC3)C(CCCC(C)C)C)(CCC12)C)O)C
SPLASH splash10-0zgl-9632200000-5b335ca82676437aa5ac
Source File Reference LMCM-93577-256B
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany