asebotoxin III
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asebotoxin III
structure -
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CAS No:
28894-73-7
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Formula:
C23H36O8
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Chemical Name:
asebotoxin III
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Synonyms:
acebotoxin III;asebotoxin I;asebotoxin III;BRN 5647634;5,6,10,16-tetrahydroxy-2,3-epoxygrayanotoxan-14-yl 2-hydroxypropanoate;DTXSID00951528;Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 14-(2-hydroxypropanoate), (2beta,3beta,6beta,14R)-;Lactic acid, 2,3-epoxytetradecahydro-4,8,11,11a-tetrahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aH-cyclopenta(b)heptalen-12-yl ester, (2R,3S,3aS,4R,4aR,7R,8R,9aS,11R,11aR,12R)-
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CAS No:
Computed Properties
Molecular Weight:440.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:440.24101810
Monoisotopic Mass:440.24101810
Topological Polar Surface Area:140
Heavy Atom Count:31
Complexity:815
Undefined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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