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2-ALPHA,6-BETA-DIBROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
SpectraBase Compound ID BEuag77dZUf
InChI InChI=1S/C21H28Br2O3/c1-11(24)26-19-5-4-13-12-8-16(22)15-9-18(25)17(23)10-21(15,3)14(12)6-7-20(13,19)2/h9,12-14,16-17,19H,4-8,10H2,1-3H3/t12-,13-,14-,16+,17+,19-,20-,21+/m0/s1
InChIKey GCQQPHGADCJALR-BHQWDNSZSA-N
Mol Weight 488.26 g/mol
Molecular Formula C21H28Br2O3
Exact Mass 486.040521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzJvcLOgSSV
Name 2-ALPHA,6-BETA-DIBROMO-17-BETA-ACETOXYANDROST-4-EN-3-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28Br2O3
InChI InChI=1S/C21H28Br2O3/c1-11(24)26-19-5-4-13-12-8-16(22)15-9-18(25)17(23)10-21(15,3)14(12)6-7-20(13,19)2/h9,12-14,16-17,19H,4-8,10H2,1-3H3/t12-,13-,14-,16+,17+,19-,20-,21+/m0/s1
InChIKey GCQQPHGADCJALR-BHQWDNSZSA-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 488.260 g/mol
Solvent CDCl3
Source File Reference UWLU31692