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Estradiol Benzoate

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For Research Use Only | Not For Clinical Use
CATAPS50500
CAS50-50-0
Structure
MDL NumberMFCD00003692
SynonymsEstra-1,3,5(10)-trien-17β-ol, 3-methoxy- (6CI,8CI), 17β-Estradiol 3-methyl ether, 3-Methoxyoestra-1,3,5(10)-trien-17β-ol, Estradiol 3-methyl ether, 3-Methoxyestra-1,3,5(10)-triene-3,17β-diol, 17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene, 3-Methoxyestra-1,3,5(10)-triene-17β-ol, NSC 58851, 3-Methoxyestradiol, 3-Methoxyestra-1,3,5(10)-trien-17β-ol, 3-Methoxy-13β-methyl-1,3,5(10)-gonatrien-17β-ol, 3-Methoxy-17β-hydroxyestra-1,3,5(10)-triene, 3-O-Methylestradiol,Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17β)-, (17β)-3-Methoxyestra-1,3,5(10)-trien-17-ol
IUPAC Name[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular Weight376.49
Molecular FormulaC25H28O3
Canonical SMILESC[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O
InChIInChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
InChI KeyUYIFTLBWAOGQBI-BZDYCCQFSA-N
REAXYS Number3107526
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass376.2038
FormatNeat
MP191-198 °C (lit.)
Size250MG
TypeAPI
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