Secologanin tetraacetate
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Secologanin tetraacetate
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CAS No:
27856-66-2
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Formula:
C25H32O14
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Chemical Name:
Secologanin tetraacetate
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Synonyms:
2H-Pyran-5-carboxylic acid,3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-,methyl ester,(2S,3R,4S)-;Loniceroside,tetraacetate;2H-Pyran-5-carboxylic acid,3-ethenyl-3,4-dihydro-4-(2-oxoethyl)-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-,methyl ester,[2S-(2α,3β,4β)]-;Secologanin tetraacetate;O,O,O,O-Tetraacetylsecologanin;21237-36-5;361175-57-7;863332-42-7
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CAS No:
Computed Properties
Molecular Weight:556.5
XLogP3:0.1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:16
Exact Mass:556.17920569
Monoisotopic Mass:556.17920569
Topological Polar Surface Area:176
Heavy Atom Count:39
Complexity:987
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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