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2-ALPHA,6-BETA,7-ALPHA-TRIBROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
SpectraBase Compound ID F0XH29Yp6hF
InChI InChI=1S/C21H27Br3O3/c1-10(25)27-16-5-4-11-17-12(6-7-20(11,16)2)21(3)9-14(22)15(26)8-13(21)18(23)19(17)24/h8,11-12,14,16-19H,4-7,9H2,1-3H3/t11-,12-,14+,16-,17-,18-,19-,20-,21+/m0/s1
InChIKey LALPIZXSGIVXQT-YFYHUEBKSA-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 BNkny2qs8FW
Name 2-ALPHA,6-BETA,7-ALPHA-TRIBROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
Compound Number 10
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)27-16-5-4-11-17-12(6-7-20(11,16)2)21(3)9-14(22)15(26)8-13(21)18(23)19(17)24/h8,11-12,14,16-19H,4-7,9H2,1-3H3/t11-,12-,14+,16-,17-,18-,19-,20-,21+/m0/s1
InChIKey LALPIZXSGIVXQT-YFYHUEBKSA-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 UWLU31700