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

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General Information
Catalog: BLP-000535
CAS: 1241684-29-6
Molecular Formula: C15[13C]3H22O2
Molecular Weight: 273.34

Chemical Structure

Description	Estrone-2,3,4-[13C3] is the labelled analogue of Estrone. Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol. Estrone is synthesized from androstenedione by the aromatase enzyme system in the ovaries and placenta, and is also synthesized from estradiol by 17-hydroxy steroid dehydrogenase in the liver. Serum concentrations of estrone in premenopausal women fluctuate according to the menstral cycle and becomes the most predominant estrogen in postmenopausal women. The binding affinities of estrone to the estrogen receptors α and β are approximately 60% and 37% relative to estradiol.
Synonyms	1,3,5(10)-Estratrien-3-ol-17-one-13C3; 3-Hydroxy-1,3,5(10)-estratrien-17-one-13C3; Estrone-2,3,4-13C3; SCHEMBL1331034; DTXSID80736173; J-005048; 3-Hydroxy(2,3,4-13C3)estra-1,3,5(10)-trien-17-one
IUPAC Name	(8R,9S,13S,14S)-3-hydroxy-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	53-16-71 (unlabelled)
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=[13CH][13C](=[13CH]4)O
Canonical SMILES	CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
InChI Key	DNXHEGUUPJUMQT-JTCDCFKFSA-N
Melting Point	258-260 °C
Purity	98% (CP); 99% atom 13C
Solubility	Soluble in Methanol
Storage	−20 °C