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Estriol-2,3,4-[13C3]

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General Information
Catalog: BLP-000534
CAS: 1255639-56-5
Molecular Formula: C15[13C]3H24O3
Molecular Weight: 291.36

Chemical Structure

Description	Estriol-2,3,4-[13C3] is the labelled analogue of Estriol, which is a metabolite of 17β-estradiol with much lower biological activity. It is the primary estrogen found in the urine. Large quantities of estriol and estrone are produced by the placenta during pregnancy. These are also the primary estrogens produced by adipose tissue in men and in post-menopausal women.
Synonyms	16-α-Hydroxyestradiol-2,3,4-13C3; Estriol-2,3,4-13C3; DTXSID60746437; (16alpha,17beta)-(2,3,4-13C3)Estra-1,3,5(10)-triene-3,16,17-triol
IUPAC Name	(8R,9S,13S,14S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[i]phenanthrene-3,16,17-triol-2,3,4-13C3
Related CAS	50-27-1 (unlabelled)
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=[13CH][13C](=[13CH]4)O
Canonical SMILES	CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H24O3/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/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1/i3+1,8+1,11+1
InChI Key	PROQIPRRNZUXQM-FDFADMNFSA-N
Melting Point	280-282 °C
Purity	97% (CP); 99% atom 13C
Storage	−20 °C