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Home > Encyclopedia > 3-O-Acetylursolic acid

3-O-Acetylursolic acid

3-O-Acetylursolic acid structure

3-O-Acetylursolic acid 

structure
  • CAS No:

    7372-30-7

  • Formula:

    C32H50O4

  • Chemical Name:

    3-O-Acetylursolic acid

  • Synonyms:

    Urs-12-en-28-oic acid,3-(acetyloxy)-,(3β)-;Urs-12-en-28-oic acid,3β-hydroxy-,acetate;(3β)-3-(Acetyloxy)urs-12-en-28-oic acid;Ursolic acid acetate;Acetylursolic acid;3-O-Acetylursolic acid;Ursolic acetate;Ursolic acid 3-O-acetate;Ursolic acid 3-acetate;3-Acetylursolic acid

  • Categories:

    Natural Products  >  Terpenes

Description

Ursolic acid acetate (Acetylursolic acid), isolated from the aerial roots of Ficus microcarpa, exhibits cytotoxicity against KB cells with IC50 of 8.4 μM[1].

3-O-Acetylursolic acid Basic Attributes

498.74

498.74

Characteristics

63.6

7.66030

Solid

1.1±0.1 g/cm3

279-280 °C

567.6°C at 760 mmHg

329.3±26.6 °C

1.556

Computed Properties

Molecular Weight:498.7
XLogP3:7.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:498.37091007
Monoisotopic Mass:498.37091007
Topological Polar Surface Area:63.6
Heavy Atom Count:36
Complexity:981
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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