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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 3Pk5MH41mzY
Name ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.,17.ALPHA.-TRIOL
Alternate Name(s) ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
CAS Registry Number 1228-72-4
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 CC12C(O)C(O)CC2C2CCc3cc(ccc3C2CC1)O
SPLASH splash10-000i-1790000000-00674eee409fe828572f
Source File Reference LMCM-97424-624Q
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK