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3-(Benzyloxy)-17.beta.-hydroxyestra-1,3,5(10)-trien-12-one
SpectraBase Compound ID 5Ep4S5AhZvn
InChI InChI=1S/C25H28O3/c1-25-22(11-12-23(25)26)20-9-7-17-13-18(28-15-16-5-3-2-4-6-16)8-10-19(17)21(20)14-24(25)27/h2-6,8,10,13,20-23,26H,7,9,11-12,14-15H2,1H3/t20-,21-,22+,23+,25+/m1/s1
InChIKey ANPUDJOQNABSMX-BZDYCCQFSA-N
Mol Weight 376.5 g/mol
Molecular Formula C25H28O3
Exact Mass 376.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgJyoZujtJv
Name 3-BENZYLOXY-17-BETA-HYDROXYESTRA-1,3,5(10)-TRIEN-12-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O3
InChI InChI=1S/C25H28O3/c1-25-22(11-12-23(25)26)20-9-7-17-13-18(28-15-16-5-3-2-4-6-16)8-10-19(17)21(20)14-24(25)27/h2-6,8,10,13,20-23,26H,7,9,11-12,14-15H2,1H3/t20-,21-,22+,23+,25+/m1/s1
InChIKey ANPUDJOQNABSMX-BZDYCCQFSA-N
Literature Reference Author J.D.BANNISTER,D.G.BOURKE,D.J.COLLINS,C.L.DOHERTY,G.D.FALLON, Y.LIM,T.L.P.TING,B.R
Literature Reference Citation AUSTR.J.CHEM.,51,353(1998)
Literature Reference DOI 10.1071/C97147
Molecular Weight 376.496 g/mol
Solvent CDCl3
Source File Reference UWGE1769