Coumingine
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Coumingine
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CAS No:
26241-81-6
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Formula:
C29H47NO6
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Chemical Name:
Coumingine
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Synonyms:
Coumingine;3-Hydroxy-3-methylbutyric acid [(2S,4bα,8aβ,10aα)-7-[(E)-2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-1,1,4aβ,8α-tetramethyl-9-oxophenanthren-2β-yl] ester
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CAS No:
Computed Properties
Molecular Weight:505.7
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:505.34033822
Monoisotopic Mass:505.34033822
Topological Polar Surface Area:93.1
Heavy Atom Count:36
Complexity:890
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes