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3.alpha.,17.beta.-dihydroxyestr-4-ene
SpectraBase Compound ID LHUyCXNL0Xc
InChI InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13+,14-,15-,16+,17+,18+/m1/s1
InChIKey CMXKUJNZWYTFJN-AXSMETJDSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2ty9D5qVwF
Name 3.alpha.,17.beta.-dihydroxyestr-4-ene
Alternate Name(s) 19-nor-4-androstenediol 3.alpha.-dihydronandrolone (3R,8R,9S,10R,13S,14S,17S)-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
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Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13+,14-,15-,16+,17+,18+/m1/s1
InChIKey CMXKUJNZWYTFJN-AXSMETJDSA-N
Molecular Weight 276.420 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C=C4CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])[H])[H])C)[H]
SPLASH splash10-002f-7920000000-e3cb374eca7f2e28257e
Source of Spectrum SWG-33-2106-0
Wiley ID 1809525