17-beta-Estradiol 3,17-diacetate

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For Research Use Only | Not For Clinical Use
CATAPS3434886
CAS3434-88-6
Structure
SynonymsNSC 106559, Estradiol-3,17beta-diacetate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, diacetate (9CI), 17beta-Estradiol diacetate, beta-Estradiol diacetate, Estradiol-3,17-diacetate,Estradiol, diacetate (6CI,7CI,8CI), 3,17beta-Diacetoxyestra-1,3,5(10)-triene, Estra-1,3,5(10)-triene-3,17beta-diol diacetate, (17beta)-Estra-1,3,5(10)-triene-3,17-diol 3,17-diacetate
IUPAC Name[(8R,9S,13S,14S,17S)-17-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Weight356.46
Molecular FormulaC22H28O4
Canonical SMILESCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C)ccc4[C@H]3CC[C@]12C
InChIInChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
Accurate Mass356.1988
FormatNeat
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
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