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Estradiol 17-Valerate-[d9]

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General Information
Catalog: BLP-005351
CAS: 1316648-98-2
Molecular Formula: C23H23D9O3
Molecular Weight: 365.55

Chemical Structure

Description	Estradiol 17-Valerate-[d9], is the labelled analogue of Estradiol 17-Valerate, which is a derivative of estradiol.
Synonyms	(17β)-Estra-1,3,5(10)-triene-3,17-diol 17-Pentanoate-d9; Estradiol Valerate-d9; 3-Hydroxy-17β-(valeroyl-d9)oxyestra-1,3,5(10)-triene; Estradiol 17-Valerate D9
IUPAC Name	[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoate
Related CAS	979-32-8 (unlabelled)
Canonical SMILES	CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
InChI	InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1/i1D3,3D2,4D2,5D2
InChI Key	RSEPBGGWRJCQGY-NLDCXAQVSA-N
Boiling Point	486.2±45.0°C at 760 mmHg
Melting Point	142-145°C
Purity	97% by CP; 96% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Pale Beige Solid
Storage	Store at -20°C