(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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![(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/61df8534c3084d0dad600d1ae68e86b4.png "(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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CAS No:
105539-27-3
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Formula:
C33H48N4O4
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Chemical Name:
(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Synonyms:
25-((7-chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol;25-NBD-methylamino-27-norcholesterol;25-NBD-MNC;25-Nbd-mnc;105539-27-3;25-Nbd-methylamino-27-norcholesterol;(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;25-((7-Chloro-4-nitrobenz-2-oxa-1,3-diazole)methylamino)-27-norcholesterol;27-Norcholest-5-en-3-ol, 25-(methyl(7-nitro-4-benzofurazanyl)amino)-, (3beta)-
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CAS No:
(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes
564.8 g/mol
564.36755603 g/mol
Computed Properties
Molecular Weight:564.8
XLogP3:8.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:564.36755603
Monoisotopic Mass:564.36755603
Topological Polar Surface Area:108
Heavy Atom Count:41
Complexity:1000
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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