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Bruceanol H

Bruceanol H structure

Bruceanol H 

structure
  • CAS No:

    168569-27-5

  • Formula:

    C28H38O11

  • Chemical Name:

    Bruceanol H

  • Synonyms:

    Picrasan-21-oic acid,15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-,methyl ester (11beta,12alpha,15beta(E)); Methyl 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxopicrasan-21-oate (11beta,12alpha,15beta(E)); Bruceanol II;

Bruceanol H Basic Attributes

550.59500

550.24141202

Characteristics

165.89000

0.31810

1.38g/cm3

714.7ºC at 760mmHg

232.6ºC

1.585

1.34E-23mmHg at 25°C

Drug Information

bruceanol H

Computed Properties

Molecular Weight:550.6
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:550.24141202
Monoisotopic Mass:550.24141202
Topological Polar Surface Area:166
Heavy Atom Count:39
Complexity:1130
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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