Wiley SpectraBase; SpectraBase Compound ID=1iyJu6YkFd SpectraBase Spectrum ID=HU91IOWCGWq
http://spectrabase.com/spectrum/HU91IOWCGWq (accessed Oct 23, 2020).

17-ALPHA-PARA-BROMOPHENYLCARBAMOYLOXY-PREGN-4-ENE-3,20-DIONE
SpectraBase Compound ID 1iyJu6YkFd
InChI InChI=1S/C28H34BrNO4/c1-17(31)28(34-25(33)30-20-7-5-19(29)6-8-20)15-12-24-22-9-4-18-16-21(32)10-13-26(18,2)23(22)11-14-27(24,28)3/h5-8,16,22-24H,4,9-15H2,1-3H3,(H,30,33)/t22-,23+,24+,26+,27+,28+/m1/s1
InChIKey IQLDNVKEUSOBQD-BDPSOKNUSA-N
Mol Weight 528.5 g/mol
Molecular Formula C28H34BrNO4
Exact Mass 527.16712 g/mol

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SpectraBase Spectrum ID HU91IOWCGWq
SpectraBase Batch ID 4mKAoU96Wew
Name 17-ALPHA-PARA-BROMOPHENYLCARBAMOYLOXY-PREGN-4-ENE-3,20-DIONE
Compound Number 8B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34BrNO4
InChI InChI=1S/C28H34BrNO4/c1-17(31)28(34-25(33)30-20-7-5-19(29)6-8-20)15-12-24-22-9-4-18-16-21(32)10-13-26(18,2)23(22)11-14-27(24,28)3/h5-8,16,22-24H,4,9-15H2,1-3H3,(H,30,33)/t22-,23+,24+,26+,27+,28+/m1/s1
InChIKey IQLDNVKEUSOBQD-BDPSOKNUSA-N
Literature Reference Author E.BRATOEFF,T.SAINZ,M.CABEZA,I.HEUZE,S.RECILLAS,V.PEREZ,C.ROD RIGUEZ,T.SEGURA,J.GO
Literature Reference Citation J.ST.BIO.MOL.BIOL.,107,48(2007)
Literature Reference DOI 10.1016/j.jsbmb.2007.03.038
Molecular Weight 528.486 g/mol
Solvent CDCl3
Source File Reference UWLU80622
SpectraBase Compound ID 1iyJu6YkFd