Isoestradiol
Title: Isoestradiol
CAS Registry Number: 517-04-4
CAS Name: (8a,17b)-Estra-1,3,5(10)-triene-3,17-diol
Additional Names: D1,3,5-8a-epiestratriene-3,17b-diol; 8a-estradiol; 8-epiestradiol; 8-isoestradiol-17b
Molecular Formula: C18H24O2
Molecular Weight: 272.38
Percent Composition: C 79.37%, H 8.88%, O 11.75%
Literature References: Prepn by high pressure hydrogenation of dihydroequilin: Serini, Logemann, Ber. 71, 186 (1938); by hydrogenation of equilenin with Raney nickel at 2800 psi and 85°: Dauben, Ahramjian, J. Am. Chem. Soc. 78, 633 (1956). Prepn of dl-form from dl-equilenin and stereochemistry: Johnson et al., ibid. 80, 661 (1958).
 
Derivative Type: d-Form
Properties: Crystals from dil methanol + chloroform, mp 181°. [a]D20 +18° (16 mg in 2 ml dioxane).
Melting point: mp 181°
Optical Rotation: [a]D20 +18° (16 mg in 2 ml dioxane)
 
Derivative Type: 3-Benzoate
Molecular Formula: C25H28O3
Molecular Weight: 376.49
Percent Composition: C 79.75%, H 7.50%, O 12.75%
Properties: Crystals from ethyl acetate, mp 190°. [a]D20 +9.5° (17 mg in 2 ml dioxane).
Melting point: mp 190°
Optical Rotation: [a]D20 +9.5° (17 mg in 2 ml dioxane)
 
Derivative Type: dl-Form
Properties: Needles from dil methanol, mp 213.5-214°.
Melting point: mp 213.5-214°

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