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Home > Encyclopedia > Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate structure

Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate 

structure
  • CAS No:

    25514-29-8

  • Formula:

    C23H28O11

  • Chemical Name:

    Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

  • Synonyms:

    Picras-3-en-21-oic acid,15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-,methyl ester,(11β,12α,15β)-;Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate;Bruceine B;Brucein B;NSC 132793

Description

Bruceine B is a triterpenoid.

Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate Basic Attributes

480.46182

480.46

Characteristics

166

-0.5

1.52g/cm3

701.8ºC at 760 mmHg

241.4ºC

1.615

Drug Information

bruceine B

Computed Properties

Molecular Weight:480.5
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:480.16316171
Monoisotopic Mass:480.16316171
Topological Polar Surface Area:166
Heavy Atom Count:34
Complexity:1030
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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