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16alpha-Hydroxyestrone-[2,3,4-13C3]

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General Information
Catalog: BLP-009158
CAS: 1241684-28-5
Molecular Formula: C15[13C]3H22O3
Molecular Weight: 289.34

Chemical Structure

Description	16alpha-Hydroxyestrone-[2,3,4-13C3] is the labelled analogue of 16alpha-Hydroxyestrone, which is a major metabolite of Estradiol.
Synonyms	1,3,5(10)-Estratriene-3,16α-diol-17-one-13C3; 16-α-Hydroxyestrone-2,3,4-13C3; (16α)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-one-2,3,4-13C3; 3,16α-Dihydroxy-1,3,5(10)-estratrien-17-one-2,3,4-13C3; Estra-1,3,5(10)-triene-3,16α-diol-17-one-2,3,4-13C3; Estriol EP Impurity H-2,3,4-13C3
IUPAC Name	(8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[i]phenanthren-17-one-2,3,4-13C3
Related CAS	566-76-7 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1/i3+1,8+1,11+1
InChI Key	WPOCIZJTELRQMF-SUZPQBOQSA-N
Purity	98% by CP; 99% atom 13C
Solubility	Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance	White to pale yellow solid
Storage	Store at -20°C