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4-BROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
SpectraBase Compound ID 8zdye2GHxdY
InChI InChI=1S/C21H29BrO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
InChIKey GAGLMZCSVIYGOY-KUJXMBTLSA-N
Mol Weight 409.36 g/mol
Molecular Formula C21H29BrO3
Exact Mass 408.130008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IyZmEhQCth
Name 4-BROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29BrO3
InChI InChI=1S/C21H29BrO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
InChIKey GAGLMZCSVIYGOY-KUJXMBTLSA-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 409.363 g/mol
Solvent CDCl3
Source File Reference UWLU31696