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Home > Encyclopedia > Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate structure

Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate 

structure
  • CAS No:

    53729-52-5

  • Formula:

    C30H38O13

  • Chemical Name:

    Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

  • Synonyms:

    Picras-3-en-21-oic acid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-,methyl ester,(11β,12α,15β)-;Picras-3-en-21-oic acid,15-[[4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-,methyl ester,[11β,12α,15β(E)]-;Picras-3-en-21-oic acid,15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-,methyl ester,(11β,12α,15β)-;Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate;Bruceantinol

Description

Bruceantinol is a triterpenoid.

Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate Basic Attributes

606.61492

606.61

DTXSID70415102

Characteristics

192

0.8

1.43±0.1 g/cm3(Predicted)

Drug Information

bruceantinol

Computed Properties

Molecular Weight:606.6
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:606.23124126
Monoisotopic Mass:606.23124126
Topological Polar Surface Area:192
Heavy Atom Count:43
Complexity:1360
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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