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Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17.beta.)-
SpectraBase Compound ID 63UNZMCnJFy
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3
InChIKey FABGTKBXHAEVKL-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvM9gjeOrUI
Name Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17.beta.)-
CAS Registry Number 791-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3
InChIKey FABGTKBXHAEVKL-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES OC1CCC2C3CCc4c(ccc(c4)O)C3=CCC12C
SPLASH splash10-0229-1960000000-f43e1b5e817bfc5ad149
Source of Spectrum DE-0-25-0
Synonyms Estra-1,3,5(10),9(11)-tetraene-3,17-diol 13-Methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1274860