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Estradiol Hemihydrate

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For Research Use Only | Not For Clinical Use
CATAPS35380713
CAS35380-71-3
Structure
Synonymsbeta-Estradiol semihydrate,Estradiol Benzoate Imp. A (EP), Estradiol Valerate Imp. A (EP), Estriol Imp. D (EP), beta-Estradiol hemihydrate, Ethinylestradiol Imp. D (EP) as Hemihydrate, Estradiol Valerate Imp. A (EP) as Hemihydrate, Estradiol Hemihydrate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, hydrate (2:1) (9CI), Estradiol Benzoate Imp. A (EP) as Hemihydrate, Ethinylestradiol Imp. D (EP), Estriol Imp. D (EP) as Hemihydate
IUPAC Name(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
Molecular Weight562.78
Molecular Formula2C18H24O2.H2O
Canonical SMILESO.C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O.C[C@]56CC[C@H]7[C@@H](CCc8cc(O)ccc78)[C@@H]5CC[C@@H]6O
InChIInChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20
Accurate Mass562.3658
FormatNeat
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