tirotundin
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tirotundin
structure -
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CAS No:
56377-67-4
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Formula:
C19H28O6
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Chemical Name:
tirotundin
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Synonyms:
tirotundin;2-Methylpropanoic acid (3aS,4R,6S,9R,10S,11aR)-dodecahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester;NSC 249959;Tagitinin D
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CAS No:
Computed Properties
Molecular Weight:352.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:352.18858861
Monoisotopic Mass:352.18858861
Topological Polar Surface Area:82.1
Heavy Atom Count:25
Complexity:599
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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