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Aspidinin

Aspidinin structure

Aspidinin 

structure
  • CAS No:

    19489-48-6

  • Formula:

    C21H26O7

  • Chemical Name:

    Aspidinin

  • Synonyms:

    3-[[2,4-Dihydroxy-3,3-dimethyl-6-oxo-5-(1-oxobutyl)-1,4-cyclohexadien-1-yl]methyl]-6-propyl-2H-pyran-2,4(3H)-dione;3-[[2,4-Dihydroxy-5-(1-oxobutyl)-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl]methyl]-6-propyl-2H-pyran-2,4(3H)-dione;Phloropyrone;Polystichinin;Aspidinin

Aspidinin Basic Attributes

390.432

390.168

CL8T8RDE3R

Characteristics

118

2.7

111 - 112 °C (petroleum ether)

Computed Properties

Molecular Weight:390.4
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:390.16785316
Monoisotopic Mass:390.16785316
Topological Polar Surface Area:118
Heavy Atom Count:28
Complexity:824
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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