Mancinellin
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Mancinellin
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CAS No:
57672-76-1
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Formula:
C36H52O8
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Chemical Name:
Mancinellin
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Synonyms:
2,4,6-Hexadecatrienoic acid,(1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester;2,4,6-Hexadecatrienoic acid,1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3,3a,6b-trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-8aH-cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxiren-8a-yl ester,[1aR-(1aα,1bβ,1cβ,2aβ,3β,3aβ,6aα,6bα,7α,8aα)]-;8aH-Cyclopropa[5′,6′]benz[1′,2′:7,8]azuleno[5,6-b]oxirene,2,4,6-hexadecatrienoic acid deriv.;Mancinellin
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CAS No:
Computed Properties
Molecular Weight:612.8
XLogP3:6.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:612.36621861
Monoisotopic Mass:612.36621861
Topological Polar Surface Area:137
Heavy Atom Count:44
Complexity:1250
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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