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Androstan-3-one, 17-bromo-, (17.alpha.)-
SpectraBase Compound ID KhBNIatpM4W
InChI InChI=1S/C19H29BrO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3/t12?,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey NOGMYLNOMCEJMG-ZYKVSKEMSA-N
Mol Weight 353.34 g/mol
Molecular Formula C19H29BrO
Exact Mass 352.140179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjDAlaok0Bq
Name Androstan-3-one, 17-bromo-, (17.alpha.)-
Alternate Name(s) (17alpha)-17-bromoandrostan-3-one 17.alpha.-bromo-3-androstanone
CAS Registry Number 60018-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29BrO
InChI InChI=1S/C19H29BrO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3/t12?,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey NOGMYLNOMCEJMG-ZYKVSKEMSA-N
Molecular Weight 353.344 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@]([C@]4(CC3)C)(Br)[H])[H])([H])CCC2CC(CC1)=O)[H])C
SPLASH splash10-0udi-0059000000-cc50454b3474aaa96ee4
Source of Spectrum AC-1976-175-0
Wiley ID 1343208