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2.alpha.-bromo-5.alpha.-estrane-3,17-dione
SpectraBase Compound ID Ir4ABQwosWj
InChI InChI=1S/C18H25BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h10-15H,2-9H2,1H3/t10-,11-,12+,13-,14-,15+,18-/m0/s1
InChIKey LBBYQMTXFUTYTH-UOSXMMIKSA-N
Mol Weight 353.3 g/mol
Molecular Formula C18H25BrO2
Exact Mass 352.103793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5AzCX6iCYc
Name 2.alpha.-bromo-5.alpha.-estrane-3,17-dione
Alternate Name(s) (2alpha,5alpha)-2-bromoestrane-3,17-dione
CAS Registry Number 103304-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25BrO2
InChI InChI=1S/C18H25BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h10-15H,2-9H2,1H3/t10-,11-,12+,13-,14-,15+,18-/m0/s1
InChIKey LBBYQMTXFUTYTH-UOSXMMIKSA-N
Molecular Weight 353.300 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C[C@@](Br)(C(C4)=O)[H])[H])[H])[H])(CCC1=O)[H])C
SPLASH splash10-0zmj-2964000000-e4bf7931edcd362b1d78
Source of Spectrum J-51-3382-7
Wiley ID 1343147