Coronatine
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Coronatine
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CAS No:
62251-96-1
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Formula:
C18H25NO4
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Chemical Name:
Coronatine
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Synonyms:
Cyclopropanecarboxylic acid,2-ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]-,(1S,2S)-;Cyclopropanecarboxylic acid,2-ethyl-1-[[(6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl)carbonyl]amino]-,[3aS-[3aα,4(1R*,2R*),6β,7aα]]-;(1S,2S)-2-Ethyl-1-[[[(3aS,6R,7aS)-6-ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-inden-4-yl]carbonyl]amino]cyclopropanecarboxylic acid;Coronatine;(+)-Coronatine
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CAS No:
Computed Properties
Molecular Weight:319.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:319.17835828
Monoisotopic Mass:319.17835828
Topological Polar Surface Area:83.5
Heavy Atom Count:23
Complexity:582
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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