2-demethylspeciosine
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2-demethylspeciosine
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CAS No:
111509-13-8
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Formula:
C27H29NO6
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Chemical Name:
2-demethylspeciosine
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Synonyms:
2-demethylspeciosine;speciocholchine;(S)-6,7-Dihydro-2-hydroxy-7-(((2-hydroxyphenyl)methyl)methylamino)-1,3,10-trimethoxybenzo(a)heptalen-9(5H)-one;CHEMBL497060;CTK4A7394;DTXSID20912191;Benzo[a]heptalen-9(5H)-one,6,7-dihydro-2-hydroxy-7-[[(2-hydroxyphenyl)methyl]methylamino]-1,3,10-trimethoxy-,(7S)-;2-Hydroxy-7-{[(2-hydroxyphenyl)methyl](methyl)amino}-1,3,10-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
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CAS No:
Computed Properties
Molecular Weight:463.5
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:463.19948764
Monoisotopic Mass:463.19948764
Topological Polar Surface Area:88.5
Heavy Atom Count:34
Complexity:835
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes