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(1alpha,5alpha,17beta)-17-hydroxy-1,17-dimethylandrostan-3-one
SpectraBase Compound ID 9B5lq1IFFja
InChI InChI=1S/C21H34O2/c1-13-11-15(22)12-14-5-6-16-17-8-10-20(3,23)19(17,2)9-7-18(16)21(13,14)4/h13-14,16-18,23H,5-12H2,1-4H3/t13-,14-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey XGTSZQUZTZMJGX-DQVGDZKQSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUVjohB9k1P
Name (1alpha,5alpha,17beta)-17-hydroxy-1,17-dimethylandrostan-3-one
Alternate Name(s) (1S,5S,8R,9S,10S,13S,14S,17S)-1,10,13,17-tetramethyl-17-oxidanyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
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Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-13-11-15(22)12-14-5-6-16-17-8-10-20(3,23)19(17,2)9-7-18(16)21(13,14)4/h13-14,16-18,23H,5-12H2,1-4H3/t13-,14-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey XGTSZQUZTZMJGX-DQVGDZKQSA-N
Molecular Weight 318.501 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@@]4([C@](CC(C[C@@]4(C)[H])=O)(CC[C@]3([C@@]2(CC1)[H])[H])[H])C)[H])C)C
SPLASH splash10-00kf-9510000000-c4f97d0f3e5296f26258
Source of Spectrum JZ-1992-2540-0
Wiley ID 1319003