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2,7-ALPHA-DIBROMO-17-BETA-ACETOXY-3-HYDROXY-1-METHYLESTRA-1,3,5(10)-TRIENE-6-ONE
SpectraBase Compound ID J9el8r5GU8Q
InChI InChI=1S/C21H24Br2O4/c1-9-16-11-6-7-21(3)13(4-5-15(21)27-10(2)24)17(11)19(23)20(26)12(16)8-14(25)18(9)22/h8,11,13,15,17,19,25H,4-7H2,1-3H3/t11-,13+,15+,17-,19+,21+/m1/s1
InChIKey HJPCWIFMTYIFSQ-TZXGTSFXSA-N
Mol Weight 500.23 g/mol
Molecular Formula C21H24Br2O4
Exact Mass 498.004135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5eh77cyxs7
Name 2,7-ALPHA-DIBROMO-17-BETA-ACETOXY-3-HYDROXY-1-METHYLESTRA-1,3,5(10)-TRIENE-6-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24Br2O4
InChI InChI=1S/C21H24Br2O4/c1-9-16-11-6-7-21(3)13(4-5-15(21)27-10(2)24)17(11)19(23)20(26)12(16)8-14(25)18(9)22/h8,11,13,15,17,19,25H,4-7H2,1-3H3/t11-,13+,15+,17-,19+,21+/m1/s1
InChIKey HJPCWIFMTYIFSQ-TZXGTSFXSA-N
Literature Reference Author T.SHIMIZU,A.TOBARI,J.KOYANAGI,M.KAWASE,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,49,23(2001)
Literature Reference DOI 10.1248/cpb.49.23
Molecular Weight 500.227 g/mol
Solvent CDCl3
Source File Reference UWLU31694