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1-Bromo-3-[3'-(methoxyethoxy)methoxy]estra-1',3',5'(10')-trien-17'-yloxy]propana
SpectraBase Compound ID GWLB8YsIce1
InChI InChI=1S/C25H37BrO4/c1-25-11-10-21-20-7-5-19(30-17-28-15-14-27-2)16-18(20)4-6-22(21)23(25)8-9-24(25)29-13-3-12-26/h5,7,16,21-24H,3-4,6,8-15,17H2,1-2H3/t21-,22-,23+,24+,25+/m1/s1
InChIKey UQVORWAFYFYOIK-VAFBSOEGSA-N
Mol Weight 481.5 g/mol
Molecular Formula C25H37BrO4
Exact Mass 480.187523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0oGmJodVbJ
Name 1-Bromo-3-[3'-(methoxyethoxy)methoxy]estra-1',3',5'(10')-trien-17'-yloxy]propana
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37BrO4
InChI InChI=1S/C25H37BrO4/c1-25-11-10-21-20-7-5-19(30-17-28-15-14-27-2)16-18(20)4-6-22(21)23(25)8-9-24(25)29-13-3-12-26/h5,7,16,21-24H,3-4,6,8-15,17H2,1-2H3/t21-,22-,23+,24+,25+/m1/s1
InChIKey UQVORWAFYFYOIK-VAFBSOEGSA-N
Molecular Weight 481.471 g/mol
SMILES [C@@]12([C@]([C@]3([C@](c4ccc(cc4CC3)OCOCCOC)([H])CC2)[H])(CC[C@@]1(OCCCBr)[H])[H])C
SPLASH splash10-052r-9000000000-bd341411867ba8480ed1
Source of Spectrum U-1995-1629-28
Wiley ID 767634