NOBORITOMYCIN A, 4-DEMETHYL-4-ETHYL-
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NOBORITOMYCIN A, 4-DEMETHYL-4-ETHYL-
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CAS No:
68508-46-3
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Formula:
C44H66O14
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Chemical Name:
NOBORITOMYCIN A, 4-DEMETHYL-4-ETHYL-
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Synonyms:
Noboritomycin-B;BRN 1615206;4-Demethyl-4-ethylnoboritomycin A;NOBORITOMYCIN A, 4-DEMETHYL-4-ETHYL-;68508-46-3;6-[(4R,6S)-8-[(2R,9S,10S,12R)-3-[(4R)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid
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CAS No:
Computed Properties
Molecular Weight:819.0
XLogP3:6.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:15
Exact Mass:818.44525677
Monoisotopic Mass:818.44525677
Topological Polar Surface Area:208
Heavy Atom Count:58
Complexity:1490
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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