(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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![(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2f31b4faa9be463882aadd07ad353d28.png "(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one")
(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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CAS No:
5976-73-8
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Formula:
C18H21NO4
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Chemical Name:
(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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Synonyms:
2-Nitroestrone;3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one;CHEMBL1835542;CHEBI:79541;5976-73-8;C15018;SCHEMBL4827774;DTXSID30975171;NSC32057;BDBM50355370;NSC-32057;ZINC30728915;3-hydroxy-2-nitro-1,3,5(10)-estratrien-17-one;3-Hydroxy-2-nitroestra-1(10),2,4-trien-17-one;Q27148646;(8R,9S,13S,14S)-3-Hydroxy-13-methyl-2-nitro-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
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CAS No:
(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one Basic Attributes
315.4 g/mol
315.14705815 g/mol
32057
Computed Properties
Molecular Weight:315.4
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:315.14705815
Monoisotopic Mass:315.14705815
Topological Polar Surface Area:83.1
Heavy Atom Count:23
Complexity:530
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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