[6-[[5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-nitrooxyoxan-4-yl] nitrate
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[6-[[5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-nitrooxyoxan-4-yl] nitrate
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CAS No:
51943-33-0
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Formula:
C29H42N2O13
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Chemical Name:
[6-[[5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-nitrooxyoxan-4-yl] nitrate
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Synonyms:
helveticosol 3',4'-dinitrate;51943-33-0;3-[(2,6-dideoxy-3,4-di-o-nitrohexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide;Helveticosol 3',4'-dinitrate;DTXSID10966269;(3beta,5beta)-3-((2,6-Dideoxy-3,4-di-O-nitro-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
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CAS No:
[6-[[5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-nitrooxyoxan-4-yl] nitrate Basic Attributes
626.6 g/mol
626.26868940 g/mol
Computed Properties
Molecular Weight:626.6
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:626.26868940
Monoisotopic Mass:626.26868940
Topological Polar Surface Area:216
Heavy Atom Count:44
Complexity:1200
Undefined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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