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2-ALPHA,4,6-BETA-TRIBROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
SpectraBase Compound ID 6Qf9BHHozRd
InChI InChI=1S/C21H27Br3O3/c1-10(25)27-16-5-4-12-11-8-14(22)17-18(24)19(26)15(23)9-21(17,3)13(11)6-7-20(12,16)2/h11-16H,4-9H2,1-3H3/t11-,12-,13-,14+,15+,16-,20-,21+/m0/s1
InChIKey GHZCSJDHVGKSGT-MIDWLEIXSA-N
Mol Weight 567.16 g/mol
Molecular Formula C21H27Br3O3
Exact Mass 563.951034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tU3BKHRYmj
Name 2-ALPHA,4,6-BETA-TRIBROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27Br3O3
InChI InChI=1S/C21H27Br3O3/c1-10(25)27-16-5-4-12-11-8-14(22)17-18(24)19(26)15(23)9-21(17,3)13(11)6-7-20(12,16)2/h11-16H,4-9H2,1-3H3/t11-,12-,13-,14+,15+,16-,20-,21+/m0/s1
InChIKey GHZCSJDHVGKSGT-MIDWLEIXSA-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 567.156 g/mol
Solvent CDCl3
Source File Reference UWLU31699