NSC686336
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NSC686336
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CAS No:
4936-61-2
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Formula:
C54H82N2O3
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Chemical Name:
NSC686336
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Synonyms:
NSC686336;4936-61-2;DTXSID60333265;[17-[3-(1H-benzimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate;4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 17-[3-(1H-benzoimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
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CAS No:
Computed Properties
Molecular Weight:807.2
XLogP3:15.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:806.63254448
Monoisotopic Mass:806.63254448
Topological Polar Surface Area:75.2
Heavy Atom Count:59
Complexity:1520
Undefined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes