[(4E,6E,10E)-14,20,22-trihydroxy-13,17-dimethoxy-4,8,10,12,16-pentamet hyl-3-oxo-2-azabicyclo[16.3.1]docosa-4,6,10,19,21,23-hexaen-9-yl] carb amate
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[(4E,6E,10E)-14,20,22-trihydroxy-13,17-dimethoxy-4,8,10,12,16-pentamet hyl-3-oxo-2-azabicyclo[16.3.1]docosa-4,6,10,19,21,23-hexaen-9-yl] carb amate
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CAS No:
86683-20-7
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Formula:
C29H42N2O8
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Chemical Name:
[(4E,6E,10E)-14,20,22-trihydroxy-13,17-dimethoxy-4,8,10,12,16-pentamet hyl-3-oxo-2-azabicyclo[16.3.1]docosa-4,6,10,19,21,23-hexaen-9-yl] carb amate
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Synonyms:
Antibiotic C 33196E5R;C 33196E5R;Geldanamycin, 18,21-didehydro-6,17-didemethoxy-12-O-demethyl-1,8,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-, (6S,15R)-;[(4E,6E,10E)-14,20,22-trihydroxy-13,17-dimethoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
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CAS No:
[(4E,6E,10E)-14,20,22-trihydroxy-13,17-dimethoxy-4,8,10,12,16-pentamet hyl-3-oxo-2-azabicyclo[16.3.1]docosa-4,6,10,19,21,23-hexaen-9-yl] carb amate Basic Attributes
546.65238
546.294
Computed Properties
Molecular Weight:546.7
XLogP3:3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:546.29411630
Monoisotopic Mass:546.29411630
Topological Polar Surface Area:161
Heavy Atom Count:39
Complexity:919
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
[(4E,6E,10E)-14,20,22-trihydroxy-13,17-dimethoxy-4,8,10,12,16-pentamet hyl-3-oxo-2-azabicyclo[16.3.1]docosa-4,6,10,19,21,23-hexaen-9-yl] carb amate
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