(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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![(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/38dc170942894eb8b43386ae91ddb683.png "(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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CAS No:
104820-74-8
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Formula:
C19H25IO3
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Chemical Name:
(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
16 alpha-iodo-11 beta-methoxy-17 beta-estradiol;16-iodo-11-methoxyestradiol;IMOE;104820-74-8;16alpha-Iodo-11beta-methoxy-17beta-estradiol;IMOE;16-Iodo-11-methoxyestradiol;DTXSID70909233;(8S,9S,11S,13S,14S,16R,17R)-16-iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;16-(~125~I)Iodo-11-methoxyestra-1(10),2,4-triene-3,17-diol;Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-125I)-11-methoxy-, (11beta,16alpha,17beta)-
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CAS No:
(8S,9S,11S,13S,14S,16R,17R)-16-(125I)iodanyl-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
426.3 g/mol
426.08500 g/mol
Computed Properties
Molecular Weight:426.3
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:426.08500
Monoisotopic Mass:426.08500
Topological Polar Surface Area:49.7
Heavy Atom Count:23
Complexity:458
Isotope Atom Count:1
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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