Centaurepensin
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Centaurepensin
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CAS No:
37006-36-3
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Formula:
C19H24Cl2O7
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Chemical Name:
Centaurepensin
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Synonyms:
Propanoic acid,3-chloro-2-hydroxy-2-methyl-,(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester,(2S)-;Propanoic acid,3-chloro-2-hydroxy-2-methyl-,9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester,[3aR-[3aα,4α(S*),6aα,8β,9α,9aα,9bβ]]-;Azuleno[4,5-b]furan,propanoic acid deriv.;Centaurepensin;Chlorohyssopifolin A;Hyrcanin;NSC 280869;Girkanin;38290-02-7;60134-08-9
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CAS No:
Computed Properties
Molecular Weight:435.3
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:434.0899085
Monoisotopic Mass:434.0899085
Topological Polar Surface Area:113
Heavy Atom Count:28
Complexity:725
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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