(8R,9S,13S,14S,17S)-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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![(8R,9S,13S,14S,17S)-13-methyl-2-nitro-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/f5b074d78e484f5fbc3faa3c22cfefca.png "(8R,9S,13S,14S,17S)-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
(8R,9S,13S,14S,17S)-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
structure -
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CAS No:
6298-51-7
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Formula:
C18H23NO4
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Chemical Name:
(8R,9S,13S,14S,17S)-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
2-Nitroestradiol;2-Nitroestra-1,3,5(10)-triene-3,17beta-diol;CHEBI:79530;6298-51-7;2-nitro-17beta-estradiol;C15007;SCHEMBL4074089;CHEMBL1627573;NSC32054;NSC41844;NSC-32054;NSC-41844;2-Nitroestra-1,3,5(10)-triene-3,17 -diol;Q27148626;(8R,9S,13S,14S,17S)-13-Methyl-2-nitro-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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CAS No:
(8R,9S,13S,14S,17S)-13-methyl-2-nitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
317.4 g/mol
317.16270821 g/mol
41844|32054
Computed Properties
Molecular Weight:317.4
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:317.16270821
Monoisotopic Mass:317.16270821
Topological Polar Surface Area:86.3
Heavy Atom Count:23
Complexity:492
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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