Dianemycin
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Dianemycin
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CAS No:
35865-33-9
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Formula:
C47H78O14
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Chemical Name:
Dianemycin
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Synonyms:
6-Nonenoic acid,8-[(2S,2′R,4′S,5R,5′S,7R,7′R,8R,9S,9′S,10′R)-9-hydroxy-2,4′,8,10′-tetramethyl-2′-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-,(2S,4R,6E,8S)-;Dianemycin;(2S,4R,6E,8S)-8-[(2S,2′R,4′S,5R,5′S,7R,7′R,8R,9S,9′S,10′R)-9-Hydroxy-2,4′,8,10′-tetramethyl-2′-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid;Stereoisomer of 8-[9-hydroxy-2,4′,8,10′-tetramethyl-2′-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid;6-Nonenoic acid,8-[9-hydroxy-2,4′,8,10′-tetramethyl-2′-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-,[2S-[2α[2′S*,4′R*,5′R*,7′S*[2R*,5S*,7S*(2R*,4S*,6E,8R*),8S*,9R*],9′R*(2R*,5R*,6S*),10′S*],3β,5β,6β]]-;NSC 138320;11032-99-8;37294-07-8
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CAS No:
Computed Properties
Molecular Weight:867.1
XLogP3:5.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:866.53915716
Monoisotopic Mass:866.53915716
Topological Polar Surface Area:189
Heavy Atom Count:61
Complexity:1570
Undefined Atom Stereocenter Count:21
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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