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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL_BENZOATE

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3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL_BENZOATE
SpectraBase Compound ID kM9fpj5pal
InChI InChI=1S/C26H30O3/c1-26-15-14-21-20-11-9-19(28-2)16-18(20)8-10-22(21)23(26)12-13-24(26)29-25(27)17-6-4-3-5-7-17/h3-7,9,11,16,21-24H,8,10,12-15H2,1-2H3/t21-,22-,23+,24-,26+/m1/s1
InChIKey SDQCCFGJLTWJOF-XCVFGXLCSA-N
Mol Weight 390.52 g/mol
Molecular Formula C26H30O3
Exact Mass 390.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24XNhrSNx0U
Name 3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL_BENZOATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O3
InChI InChI=1S/C26H30O3/c1-26-15-14-21-20-11-9-19(28-2)16-18(20)8-10-22(21)23(26)12-13-24(26)29-25(27)17-6-4-3-5-7-17/h3-7,9,11,16,21-24H,8,10,12-15H2,1-2H3/t21-,22-,23+,24-,26+/m1/s1
InChIKey SDQCCFGJLTWJOF-XCVFGXLCSA-N
Literature Reference Author P.TAPOLCSANYI,J.WOELFLING,E.MERNYAK,G.SCHNEIDER
Literature Reference Citation MH.CHEM.,135,1129(2004)
Molecular Weight 390.522 g/mol
Solvent CDCl3
Source File Reference UWMZ11959