10β,17β-dihydroxyestra-1,4-dien-3-one

Chemical Properties

Melting point	217-219 °C(Solv: ethyl acetate (141-78-6))
Boiling point	485.3±45.0 °C(Predicted)
Density	1.24±0.1 g/cm3(Predicted)
storage temp.	2-8°C
solubility	DMSO: 10mg/mL, clear
pka	12.35±0.60(Predicted)
form	powder
color	white to light brown
optical activity	[α]/D -20 to -30°, c = 1 in methanol
InChI	1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1
InChIKey	UIKDFTLKOKNUJP-UGDFAFBOSA-N
SMILES	O[C@@]12C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4O)=CC(C=C1)=O

WGK Germany	WGK 3
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Repr. 1B

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