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6-BROMO-16-BETA-METHYL-17-ALPHA-VALEROYLOXY-PREGNA-4,6-DIENE-3,20-DIONE
SpectraBase Compound ID C4o8xE0Ziha
InChI InChI=1S/C27H37BrO4/c1-6-7-8-24(31)32-27(17(3)29)16(2)13-21-19-15-23(28)22-14-18(30)9-11-25(22,4)20(19)10-12-26(21,27)5/h14-16,19-21H,6-13H2,1-5H3/t16-,19+,20-,21-,25+,26-,27-/m0/s1
InChIKey FWUCEMPGWQBWSH-ZOKLIVCCSA-N
Mol Weight 505.5 g/mol
Molecular Formula C27H37BrO4
Exact Mass 504.187523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1RyBXydsNW
Name 6-BROMO-16-BETA-METHYL-17-ALPHA-VALEROYLOXY-PREGNA-4,6-DIENE-3,20-DIONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H37BrO4
InChI InChI=1S/C27H37BrO4/c1-6-7-8-24(31)32-27(17(3)29)16(2)13-21-19-15-23(28)22-14-18(30)9-11-25(22,4)20(19)10-12-26(21,27)5/h14-16,19-21H,6-13H2,1-5H3/t16-,19+,20-,21-,25+,26-,27-/m0/s1
InChIKey FWUCEMPGWQBWSH-ZOKLIVCCSA-N
Literature Reference Author E.RAMIREZ,M.CABEZA,I.HEUZE,E.GUTIERREZ,E.BRATOEFF,M.MEMBRILL O,A.LIRA
Literature Reference Citation CHEM.PHARM.BULL.,50,15(2002)
Literature Reference DOI 10.1248/cpb.50.15
Molecular Weight 505.492 g/mol
Solvent CDCl3
Source File Reference UWVN7803