8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
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![8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c368db47c26a4b62a89f8b4c05be833f.png "8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid")
8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
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CAS No:
84014-70-0
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Formula:
C23H21NO13
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Chemical Name:
8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
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Synonyms:
aristoloside;Aristoloside;84014-70-0;DTXSID001004297;8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid;10-(Hexopyranosyloxy)-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylato;Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-(beta-D-glucopyranosyloxy)-8-methoxy-6-nitro-
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CAS No:
8-methoxy-6-nitro-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid Basic Attributes
519.4 g/mol
519.10128972 g/mol
Computed Properties
Molecular Weight:519.4
XLogP3:1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:519.10128972
Monoisotopic Mass:519.10128972
Topological Polar Surface Area:210
Heavy Atom Count:37
Complexity:855
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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