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BIS-(15-CHLORO-3,17-BETA-DIHYDROXY-ESTRA-1,3,5(10),6,8,14-HEXAEN-4-YL)
SpectraBase Compound ID LVurdGSkpj8
InChI InChI=1S/C36H32Cl2O4/c1-35-13-11-19-17-7-9-27(39)31(21(17)3-5-23(19)33(35)25(37)15-29(35)41)32-22-4-6-24-20(18(22)8-10-28(32)40)12-14-36(2)30(42)16-26(38)34(24)36/h3-10,29-30,39-42H,11-16H2,1-2H3/t29-,30-,35+,36+/m0/s1
InChIKey RDSKCZNBNYLZEB-GXVUJLAVSA-N
Mol Weight 599.6 g/mol
Molecular Formula C36H32Cl2O4
Exact Mass 598.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ySN6HjXARa
Name BIS-(15-CHLORO-3,17-BETA-DIHYDROXY-ESTRA-1,3,5(10),6,8,14-HEXAEN-4-YL)
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32Cl2O4
InChI InChI=1S/C36H32Cl2O4/c1-35-13-11-19-17-7-9-27(39)31(21(17)3-5-23(19)33(35)25(37)15-29(35)41)32-22-4-6-24-20(18(22)8-10-28(32)40)12-14-36(2)30(42)16-26(38)34(24)36/h3-10,29-30,39-42H,11-16H2,1-2H3/t29-,30-,35+,36+/m0/s1
InChIKey RDSKCZNBNYLZEB-GXVUJLAVSA-N
Literature Reference Author L.LISTA,A.PEZZELLA,P.MANINI,A.NAPOLITANO,M.DISCHIA
Literature Reference Citation STEROIDS,77,630(2012)
Literature Reference DOI 10.1016/j.steroids.2012.02.007
Molecular Weight 599.554 g/mol
Sample ID 70613
Solvent CD3OD