(8R,9S,13S,14S,16R,17R)-16-(125I)iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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![(8R,9S,13S,14S,16R,17R)-16-(125I)iodanyl-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/20220812/70f239582dd04e448da24e214d14a7a2.png "(8R,9S,13S,14S,16R,17R)-16-(125I)iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
(8R,9S,13S,14S,16R,17R)-16-(125I)iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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CAS No:
71765-93-0
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Formula:
C18H23IO2
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Chemical Name:
(8R,9S,13S,14S,16R,17R)-16-(125I)iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
UNII-QEE8L28C30;QEE8L28C30;71765-93-0;16alpha-(125I)Iodoestradiol;16alpha-Iodo-17beta-estradiol-125I;16alpha-Iodoestradiol I-125;DTXSID50992421;16-alpha-(Iodo-(125)I)estra-1,3,5(10)-triene-3,17-beta-diol;Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-125I)-, (16alpha,17beta)-;16-(~125~I)Iodoestra-1(10),2,4-triene-3,17-diol
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CAS No:
(8R,9S,13S,14S,16R,17R)-16-(125I)iodanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
396.3 g/mol
396.07444 g/mol
QEE8L28C30
Computed Properties
Molecular Weight:396.3
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:396.07444
Monoisotopic Mass:396.07444
Topological Polar Surface Area:40.5
Heavy Atom Count:21
Complexity:414
Isotope Atom Count:1
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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