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Home > Encyclopedia > trans-3'-O-Benzoyl-4'-O-Methylkhellactone

trans-3'-O-Benzoyl-4'-O-Methylkhellactone

trans-3'-O-Benzoyl-4'-O-Methylkhellactone structure

trans-3'-O-Benzoyl-4'-O-Methylkhellactone 

structure
  • CAS No:

    23733-95-1

  • Formula:

    C22H20O6

  • Chemical Name:

    trans-3'-O-Benzoyl-4'-O-Methylkhellactone

  • Synonyms:

    trans-3'-O-Benzoyl-4'-O-Methylkhellactone;(9R,10S)-(+)-9,10-Dihydro-9-hydroxy-10-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one benzoate

  • Categories:

    Natural Products  >  Coumarin and Derivatives

trans-3'-O-Benzoyl-4'-O-Methylkhellactone Basic Attributes

380.3906

380.126

Characteristics

71.1

3.6

Computed Properties

Molecular Weight:380.4
XLogP3:3.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:380.12598835
Monoisotopic Mass:380.12598835
Topological Polar Surface Area:71.1
Heavy Atom Count:28
Complexity:635
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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