(6S,7S,8R,9S,13S,14S,17S)-7-bromo-6-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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![(6S,7S,8R,9S,13S,14S,17S)-7-bromo-6-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/20220812/8a98e0b4a1a0491aa3c2be92b85c7b40.png "(6S,7S,8R,9S,13S,14S,17S)-7-bromo-6-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
(6S,7S,8R,9S,13S,14S,17S)-7-bromo-6-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:
115375-37-6
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Formula:
C19H25BrO3
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Chemical Name:
(6S,7S,8R,9S,13S,14S,17S)-7-bromo-6-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
6 beta-methoxy-7 alpha-bromoestradiol;6-MB-estradiol;6-methoxy-7-bromoestradiol;6-MB-Estradiol;115375-37-6;6-Methoxy-7-bromoestradiol;DTXSID40921705;6beta-Methoxy-7alpha-bromoestradiol;7-Bromo-6-methoxyestra-1,3,5(10)-triene-3,17-diol;Estra-1,3,5(10)-triene-3,17-diol, 7-bromo-6-methoxy-, (6beta,7alpha,17beta)-
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CAS No:
(6S,7S,8R,9S,13S,14S,17S)-7-bromo-6-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
381.3 g/mol
380.09871 g/mol
Computed Properties
Molecular Weight:381.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:380.09871
Monoisotopic Mass:380.09871
Topological Polar Surface Area:49.7
Heavy Atom Count:23
Complexity:458
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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