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Home > Encyclopedia > [(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

[(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

[(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 structure

[(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 

structure
  • CAS No:

    86683-20-7

  • Formula:

    C29H42N2O8

  • 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

  • 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

[(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

Characteristics

161

3.1

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

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