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17-beta-Estradiol D3 (16,16,17-D3)

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For Research Use Only | Not For Clinical Use
CATAPS79037379A
CAS79037-37-9
Structure
SynonymsEstra-1,3,5(10)-triene-16,16,17-d3-3,17-diol, (17β)-, 17β-Estradiol-16,16,17-D3, Estradiol-d3, 17β-Estradiol-16,16,17-d3, (17β)-Estra-1,3,5(10)-triene-16,16,17-d3-3,17-diol
IUPAC Name(8R,9S,13S,14S,17S)-16,16,17-trideuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Weight275.40
Molecular FormulaC182H3H21O2
Canonical SMILES[2H]C1([2H])C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@@]1([2H])O
InChIInChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i7D2,17D
Accurate Mass275.1965
FormatNeat
Product TypeStable Isotope Labelled
SubcategoryPharmaceutical and veterinary compounds and metabolites
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