(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
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![(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/216e92272c4e4bc59ec4bbc840bdbeda.png "(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol")
(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
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CAS No:
83797-05-1
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Formula:
C24H27NO3S2
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Chemical Name:
(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
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Synonyms:
3-hydroxy-17 beta-(4-nitrophenyldithio)-1,3,5(10)-estratriene;3-hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene;OHNPDTE;83797-05-1;OHNPDTE;3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene;DTXSID301003848;3-Hydroxy-17beta-(4-nitrophenyldithio)-1,3,5(10)-estratriene;17-[(4-Nitrophenyl)disulfanyl]estra-1(10),2,4-trien-3-ol;Estra-1,3,5(10)-trien-3-ol, 17-((4-nitrophenyl)dithio)-, (17beta)-
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CAS No:
(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol Basic Attributes
441.6 g/mol
441.14323607 g/mol
Computed Properties
Molecular Weight:441.6
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:441.14323607
Monoisotopic Mass:441.14323607
Topological Polar Surface Area:117
Heavy Atom Count:30
Complexity:634
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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