AIDS005940
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AIDS005940
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CAS No:
148101-50-2
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Formula:
C31H52O12S3
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Chemical Name:
AIDS005940
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Synonyms:
Ibisterol sulfate;148101-50-2;CHEMBL1207126;DTXSID50332409;[(2S,3S,6S,10S,13R,14S,17R)-17-[(1R)-3-(1-isopropyl-2-methyl-cyclopropyl)-1-methyl-propyl]-10,13,14-trimethyl-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate;14-Methyl-2,3-[2,3-[2-methyl-1-(1-methylethyl)cyclopropyl]-24-norchol-9(11)-ene-2,3,6-triol, tris(hydrogen sulfate), (2.beta.,3.alpha.,6.alpha.)
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CAS No:
Computed Properties
Molecular Weight:712.9
XLogP3:6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:712.26209061
Monoisotopic Mass:712.26209061
Topological Polar Surface Area:216
Heavy Atom Count:46
Complexity:1540
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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