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9-BROMO-11-BETA-17,21-TRIHYDROXYPREGN-4-EN-3,20-DION
SpectraBase Compound ID A5mXeUdrtoB
InChI InChI=1S/C21H29BrO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20?,21-/m0/s1
InChIKey UPDGEBFZVSWPHF-YYYRMLFYSA-N
Mol Weight 441.36 g/mol
Molecular Formula C21H29BrO5
Exact Mass 440.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GR8fooTtolM
Name 9-BROMO-11-BETA-17,21-TRIHYDROXYPREGN-4-EN-3,20-DION
Compound Number 317
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29BrO5
InChI InChI=1S/C21H29BrO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20?,21-/m0/s1
InChIKey UPDGEBFZVSWPHF-YYYRMLFYSA-N
Literature Reference Author J.W.BLUNT,J.B.STOTHERS
Literature Reference Citation ORG.MAGN.RES.,9,439(1977)
Literature Reference DOI 10.1002/mrc.1270090802
Molecular Weight 441.362 g/mol
Solvent DMSO
Source File Reference UNIW4092