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5.beta.-androst-16-en-3-one
SpectraBase Compound ID 6Dr3wJqIo5t
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChIKey HFVMLYAGWXSTQI-PFFQMSPKSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JTYWEPsqOQ
Name 5.beta.-androst-16-en-3-one
Alternate Name(s) (5beta)-androst-16-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChIKey HFVMLYAGWXSTQI-PFFQMSPKSA-N
Molecular Weight 272.432 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC=C[C@]4(CC3)C)[H])([H])CC[C@@]2(CC(CC1)=O)[H])[H])C
SPLASH splash10-05di-4090000000-562d0391351e7e916f7e
Source of Spectrum KO-21-161-2
Wiley ID 1276732