Calamin
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Calamin
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CAS No:
74751-40-9
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Formula:
C27H36O10
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Chemical Name:
Calamin
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Synonyms:
Naphth[2,1-c]oxireno[d]pyran-6-propanoic acid,3-(3-furanyl)dodecahydro-β,9-dihydroxy-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,8-dioxo-,methyl ester,(3S,3aS,5aR,6R,7R,9aS,9bR,10aS)-;Obacunoic acid,7-deoxo-1,2-dihydro-1,7-dihydroxy-6-oxo-,methyl ester;Naphth[2,1-c]oxireno[d]pyran-6-propanoic acid,3-(3-furanyl)dodecahydro-β,9-dihydroxy-7-(1-hydroxy-1-methylethyl)-3a,6,9a-trimethyl-1,8-dioxo-,methyl ester,(3S,3aS,5aR,6R,7R,9aS,9bR,10aS)-[partial]-;Calamin
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CAS No:
Computed Properties
Molecular Weight:520.6
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:520.23084734
Monoisotopic Mass:520.23084734
Topological Polar Surface Area:156
Heavy Atom Count:37
Complexity:1010
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes