Praeruptorin B
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Praeruptorin B
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CAS No:
73069-28-0
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Formula:
C24H26O7
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Chemical Name:
Praeruptorin B
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Synonyms:
2-Butenoic acid,2-methyl-,(9S,10S)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9,10-diyl ester,(2Z,2′Z)-;2-Butenoic acid,2-methyl-,9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-9,10-diyl ester,[9S-[9α(Z),10α(Z)]]-;2H,8H-Benzo[1,2-b:3,4-b′]dipyran,2-butenoic acid deriv.;Praeruptorin B;(+)-Praeruptorin B;(+)-Anomalin;Pd II;(+) Pareruptorin B;Praeruptorin D;20107-14-6;81740-07-0
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CAS No:
Computed Properties
Molecular Weight:426.5
XLogP3:4.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:426.16785316
Monoisotopic Mass:426.16785316
Topological Polar Surface Area:88.1
Heavy Atom Count:31
Complexity:835
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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