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2-ALPHA,4,6-BETA,7-ALPHA-TETRABROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
SpectraBase Compound ID DtSnfITX2cs
InChI InChI=1S/C21H26Br4O3/c1-9(26)28-13-5-4-10-14-11(6-7-20(10,13)2)21(3)8-12(22)19(27)18(25)15(21)17(24)16(14)23/h10-14,16-17H,4-8H2,1-3H3/t10-,11-,12+,13-,14-,16-,17-,20-,21+/m0/s1
InChIKey DTLLMJDGNNANCQ-JZXAJDRWSA-N
Mol Weight 646.05 g/mol
Molecular Formula C21H26Br4O3
Exact Mass 641.861547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43RenGT1axs
Name 2-ALPHA,4,6-BETA,7-ALPHA-TETRABROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26Br4O3
InChI InChI=1S/C21H26Br4O3/c1-9(26)28-13-5-4-10-14-11(6-7-20(10,13)2)21(3)8-12(22)19(27)18(25)15(21)17(24)16(14)23/h10-14,16-17H,4-8H2,1-3H3/t10-,11-,12+,13-,14-,16-,17-,20-,21+/m0/s1
InChIKey DTLLMJDGNNANCQ-JZXAJDRWSA-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 646.052 g/mol
Solvent CDCl3
Source File Reference UWLU31701