Pinnatoxin A
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Pinnatoxin A
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CAS No:
160759-36-4
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Formula:
C41H61NO9
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Chemical Name:
Pinnatoxin A
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Synonyms:
19H-11,15:15,18:18,22:24,28:24,29-Pentaepoxy-1H-benzo[2,3]cycloheptacos[1,2-b]azepine-31-carboxylic acid,2,3,4,6,7,8,9,10,11,12,13,14,16,17,20,21,22,23,25,26,27,28,29,29a,32,33-hexacosahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-,(2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-;19H-11,15:15,18:18,22:24,28:24,29-Pentaepoxy-1H-benzo[2,3]cycloheptacos[1,2-b]azepine-31-carboxylic acid,2,3,4,6,7,8,9,10,11,12,13,14,16,17,20,21,22,23,25,26,27,28,29,29a,32,33-hexacosahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-,(2R*,3R*,11S*,14S*,15R*,18R*,22S*,24R*,26S*,27R*,28S*,29R*,29aR*,33aS*)-;(2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-2,3,4,6,7,8,9,10,11,12,13,14,16,17,20,21,22,23,25,26,27,28,29,29a,32,33-Hexacosahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-19H-11,15:15,18:18,22:24,28:24,29-pentaepoxy-1H-benzo[2,3]cycloheptacos[1,2-b]azepine-31-carboxylic acid;Pinnatoxin A;(+)-Pinnatoxin A
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CAS No:
Computed Properties
Molecular Weight:711.9
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:1
Exact Mass:711.43463252
Monoisotopic Mass:711.43463252
Topological Polar Surface Area:136
Heavy Atom Count:51
Complexity:1460
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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