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Cholestane-3,5-diol, (3.beta.,5.alpha.)-
SpectraBase Compound ID 61OOh3453po
InChI InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3
InChIKey YGJKELZDRWFHOR-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4Xh58knFJU
Name 3.ALPHA.,5.ALPHA.-DIHYDROXY-CHOLESTAN
Alternate Name(s) CHOLESTANE-3,5-DIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3
InChIKey YGJKELZDRWFHOR-UHFFFAOYSA-N
Nominal Mass 404 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C(O)(CC(CC2)O)CCC2C3C(C(CC3)C(CCCC(C)C)C)(CCC12)C)C
SPLASH splash10-000i-9416000000-a8e5bbabc454e8cd5307
Source File Reference LMCM-75484-958L
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany