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Estriol 3-methyl ether
SpectraBase Compound ID B9xACYSzSQp
InChI InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1
InChIKey UHQGCIIQUZBJAE-QKDSSNGWSA-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 Gc0VM62JhTj
Name (16alpha,17beta)-3-methoxyestra-1,3,5(10)-triene-16,17-diol
Alternate Name(s) (8R,9S,13S,14S,16R,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol 3-Methoxyestriol Estriol 3-methyl ether Estriol methyl ether
CAS Registry Number 1474-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1
InChIKey UHQGCIIQUZBJAE-QKDSSNGWSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@]1([C@@](C[C@@]2([C@@]1(CC[C@@]1(c3c(CC[C@@]21[H])cc(cc3)OC)[H])C)[H])(O)[H])[H]
SPLASH splash10-0udi-1954000000-f5d43124bd8ffc1993de
Source of Spectrum W5-27229-0-0
Wiley ID 1304923