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Androst-4-en-3-one, 17-iodo-, (17.alpha.)-
SpectraBase Compound ID FcOi63fgvLd
InChI InChI=1S/C19H27IO/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/h11,14-17H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKey FIJXBYMJXWIFEJ-KZYORJDKSA-N
Mol Weight 398.33 g/mol
Molecular Formula C19H27IO
Exact Mass 398.11066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QC6WMoD7Fw
Name Androst-4-en-3-one, 17-iodo-, (17.alpha.)-
CAS Registry Number 35581-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27IO
InChI InChI=1S/C19H27IO/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/h11,14-17H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKey FIJXBYMJXWIFEJ-KZYORJDKSA-N
Molecular Weight 398.328 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)CC[C@]2([C@@]3(CC[C@]([C@]3(CC[C@]12[H])C)(I)[H])[H])[H])C
SPLASH splash10-0a4i-0090000000-8b0bf4a18dc1296daa76
Source of Spectrum AC-1976-175-0
Synonyms (17alpha)-17-iodoandrost-4-en-3-one 17.alpha.-iodo-3-androst-4-ene-3-one 17.alpha.-iodoandrost-4-en-3-one
Wiley ID 1368281