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2,4,7-ALPHA-TRIBROMO-17-BETA-ACETOXY-3-HYDROXY-1-METHYLESTRA-1,3,5(10)-TRIENE-6-ONE
SpectraBase Compound ID Jv2mKpmKFFL
InChI InChI=1S/C21H23Br3O4/c1-8-13-10-6-7-21(3)11(4-5-12(21)28-9(2)25)14(10)17(23)19(26)15(13)18(24)20(27)16(8)22/h10-12,14,17,27H,4-7H2,1-3H3/t10-,11+,12+,14-,17+,21+/m1/s1
InChIKey QHVRTKKBUUKLPD-RWLYRISMSA-N
Mol Weight 579.12 g/mol
Molecular Formula C21H23Br3O4
Exact Mass 575.914648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bOcByiBXOS
Name 2,4,7-ALPHA-TRIBROMO-17-BETA-ACETOXY-3-HYDROXY-1-METHYLESTRA-1,3,5(10)-TRIENE-6-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23Br3O4
InChI InChI=1S/C21H23Br3O4/c1-8-13-10-6-7-21(3)11(4-5-12(21)28-9(2)25)14(10)17(23)19(26)15(13)18(24)20(27)16(8)22/h10-12,14,17,27H,4-7H2,1-3H3/t10-,11+,12+,14-,17+,21+/m1/s1
InChIKey QHVRTKKBUUKLPD-RWLYRISMSA-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 579.123 g/mol
Solvent CDCl3
Source File Reference UWLU31695