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BIS-(15-CHLORO-3,17-BETA-DIACETOXY-ESTRA-1,3,5(10),6,8,14-HEXAEN-4-YL)
SpectraBase Compound ID HV9d61iPEQo
InChI InChI=1S/C44H40Cl2O8/c1-21(47)51-35-13-11-25-27-15-17-43(5)37(53-23(3)49)19-33(45)41(43)31(27)9-7-29(25)39(35)40-30-8-10-32-28(26(30)12-14-36(40)52-22(2)48)16-18-44(6)38(54-24(4)50)20-34(46)42(32)44/h7-14,37-38H,15-20H2,1-6H3/t37-,38-,43+,44+/m0/s1
InChIKey JGKMYRYHFVRPKT-KMMOYCCRSA-N
Mol Weight 767.7 g/mol
Molecular Formula C44H40Cl2O8
Exact Mass 766.210024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7edSRmByur7
Name BIS-(15-CHLORO-3,17-BETA-DIACETOXY-ESTRA-1,3,5(10),6,8,14-HEXAEN-4-YL)
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H40Cl2O8
InChI InChI=1S/C44H40Cl2O8/c1-21(47)51-35-13-11-25-27-15-17-43(5)37(53-23(3)49)19-33(45)41(43)31(27)9-7-29(25)39(35)40-30-8-10-32-28(26(30)12-14-36(40)52-22(2)48)16-18-44(6)38(54-24(4)50)20-34(46)42(32)44/h7-14,37-38H,15-20H2,1-6H3/t37-,38-,43+,44+/m0/s1
InChIKey JGKMYRYHFVRPKT-KMMOYCCRSA-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 767.703 g/mol
Sample ID 70615
Solvent CD3OD