Petuniasterone A
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Petuniasterone A
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CAS No:
114175-99-4
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Formula:
C32H46O6S
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Chemical Name:
Petuniasterone A
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Synonyms:
petuniasterone A;Petuniasterone A;114175-99-4;2,7,8-Trioxabicyclo(3.2.1)octane-1-ethanethioic acid, 3-((7alpha,20S)-7-hydroxy-3-oxopregna-1,4-dien-20-yl)-5,6,6-trimethyl-, S-methyl ester, (1S-exo)-
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CAS No:
Computed Properties
Molecular Weight:558.8
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:558.30151036
Monoisotopic Mass:558.30151036
Topological Polar Surface Area:107
Heavy Atom Count:39
Complexity:1130
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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