Daturataturin A aglycone
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Daturataturin A aglycone
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CAS No:
904665-71-0
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Formula:
C28H38O5
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Chemical Name:
Daturataturin A aglycone
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Synonyms:
Daturataturin A aglycone;(7alpha,22R)-7,22,27-Trihydroxy-1-oxoergosta-2,5,24-trien-26-oic acid delta-lactone;Desglucodaturataturin A
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CAS No:
Computed Properties
Molecular Weight:454.6
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:454.27192431
Monoisotopic Mass:454.27192431
Topological Polar Surface Area:83.8
Heavy Atom Count:33
Complexity:959
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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