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3-BUTOXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL

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3-BUTOXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID HvTdyC4roy6
InChI InChI=1S/C22H32O2/c1-3-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23/h6,8,14,18-21,23H,3-5,7,9-13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey INZNVOBAJDJHSD-AANPDWTMSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qvqNcbbZTj
Name 3-BUTOXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 5 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-3-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23/h6,8,14,18-21,23H,3-5,7,9-13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey INZNVOBAJDJHSD-AANPDWTMSA-N
Literature Reference Author L.PROKAI,S.M.OON,K.PROKAI-TATRAI,K.A.ABBOUD,J.W.SIMPKINS
Literature Reference Citation J.MED.CHEM.,44,110(2001)
Literature Reference DOI 10.1021/jm000280t
Molecular Weight 328.495 g/mol
Sample ID 44302
Solvent CHCl3