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Home > Encyclopedia > [14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate

[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate

[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate structure

[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate 

structure
  • CAS No:

    81776-99-0

  • Formula:

    C28H35BrO5S

  • Chemical Name:

    [14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate

  • Synonyms:

    NSC319732;81776-99-0;DTXSID90317679;NSC-319732;SHIKOCCIN (THIOL ADDUCT OF - PARTIAL STEREO)

[14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate Basic Attributes

563.5 g/mol

562.13886 g/mol

319732

DTXSID90317679

Characteristics

106 Ų

Computed Properties

Molecular Weight:563.5
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:562.13886
Monoisotopic Mass:562.13886
Topological Polar Surface Area:106
Heavy Atom Count:35
Complexity:877
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [14-[(4-bromophenyl)sulfanylmethyl]-2-hydroxy-5,5,9-trimethyl-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl] acetate

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