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Estra-1,3,5(10)-triene-4,17-diol, 3-methoxy-, (17.beta.)-
SpectraBase Compound ID 59vXv9i74XM
InChI InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3
InChIKey QREWTGIWXABZAC-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9glstPdylDr
Name Estra-1,3,5(10)-triene-4,17-diol, 3-methoxy-, (17.beta.)-
CAS Registry Number 5976-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3
InChIKey QREWTGIWXABZAC-UHFFFAOYSA-N
Molecular Weight 302.414 g/mol
SMILES OC1CCC2C1(CCC1C2CCc2c1ccc(c2O)OC)C
SPLASH splash10-0udi-0968000000-232d8a20d8714ac3c799
Source of Spectrum W5-27235-0-0
Synonyms 3-Methoxyestra-1,3,5(10)-triene-4,17-diol 3-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-4,17-diol
Wiley ID 1304929