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Formestane
SpectraBase Compound ID 22av3357IMM
InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
InChIKey OSVMTWJCGUFAOD-KZQROQTASA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K790lUG94GH
Name androst-4-en-4-ol-3,17-dione
Alternate Name(s) 4-Hydroxyandrostenedione (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione
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Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
InChIKey OSVMTWJCGUFAOD-KZQROQTASA-N
Literature Reference DOI 10.1002/rcm.3826
Molecular Weight 302.414 g/mol
SMILES OC1=C2[C@](CCC1=O)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(CC2)=O)C)[H])[H])[H])C
SPLASH splash10-0002-2910000000-e14e4dfd093069f5ab39
Source of Spectrum RCM-22-4154-4OH_ADIONE
Wiley ID 1814546