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ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, (16alpha,17beta)-
SpectraBase Compound ID IVEwzM7Cp7g
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3
InChIKey PROQIPRRNZUXQM-UHFFFAOYSA-N
Mol Weight 288.39 g/mol
Molecular Formula C18H24O3
Exact Mass 288.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MN8lc7e1zV
Name 3,16.BETA.,17.BETA.-TRIHYDROXY-ESTRA-1,3,5(10)-TRIENE
Alternate Name(s) ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H24O3
InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3
InChIKey PROQIPRRNZUXQM-UHFFFAOYSA-N
Nominal Mass 288 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3c4c(cc(cc4)O)CCC3C2CC(O)C1O
SPLASH splash10-000i-6790000000-617f5b67e642a0ed2bef
Source File Reference LMCM-21616-999E
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany