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16-ALPHA-BROMO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-OL
SpectraBase Compound ID IuweiEkNQvd
InChI InChI=1S/C19H25BrO2/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/h4,6,9,14-18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1
InChIKey SSXUMUAADUDECN-RRQVMCLOSA-N
Mol Weight 365.31 g/mol
Molecular Formula C19H25BrO2
Exact Mass 364.103793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BY0pmT86Uin
Name 16-ALPHA-BROMO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-OL
Compound Number 385
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25BrO2
InChI InChI=1S/C19H25BrO2/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/h4,6,9,14-18,21H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18-,19+/m1/s1
InChIKey SSXUMUAADUDECN-RRQVMCLOSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 365.310 g/mol
Solvent CDCl3
Source File Reference UNIW4073