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3-Methoxy-1,3,5(10)-estratriene-14.alpha.,17.beta.-diol
SpectraBase Compound ID 4jVh4l0jNQ7
InChI InChI=1S/C19H26O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h4-5,11,15-17,20-21H,3,6-10H2,1-2H3/t15-,16-,17+,18-,19-/m1/s1
InChIKey CUCTUIHDTHOLCH-UJWQCDCRSA-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 AIay8rWbZrM
Name 3-Methoxy-1,3,5(10)-estratriene-14.alpha.,17.beta.-diol
CAS Registry Number 60183-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h4-5,11,15-17,20-21H,3,6-10H2,1-2H3/t15-,16-,17+,18-,19-/m1/s1
InChIKey CUCTUIHDTHOLCH-UJWQCDCRSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@]3([C@](CC2)(c2ccc(cc2CC3)OC)[H])[H])(CC1)O)C)[H]
SPLASH splash10-0w90-0935000000-df06ae1ade4f64417cb2
Source of Spectrum O-23-254-4
Synonyms Estra-1,3,5(10)-triene-14,17-diol, 3-methoxy-, (14.beta.,17.beta.)- (17beta)-3-methoxyestra-1,3,5(10)-triene-14,17-diol 3-Methoxy-1,3,5(10)-estratriene-14.beta.,17.beta.-diol
Wiley ID 1304987