10-Deoxygrayanotoxin III
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10-Deoxygrayanotoxin III
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CAS No:
38776-77-1
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Formula:
C20H34O5
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Chemical Name:
10-Deoxygrayanotoxin III
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Synonyms:
10-Deoxygrayanotoxin III;Grayanotoxane-3,5,6,14,16-pentol, (3-beta,6-beta,14R)-;7,9a-Methano-9aH-cyclopenta(b)heptalene-2,8,11,11a,12(1H)-pentol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-;DTXSID80959582;Grayanotoxane-3,5,6,14,16-pentol;LS-90784
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CAS No:
Computed Properties
Molecular Weight:354.5
XLogP3:1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Exact Mass:354.24062418
Monoisotopic Mass:354.24062418
Topological Polar Surface Area:101
Heavy Atom Count:25
Complexity:578
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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