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Home > Encyclopedia > 12-Deoxyphorbol-13-isobutyrate-20-acetate

12-Deoxyphorbol-13-isobutyrate-20-acetate

12-Deoxyphorbol-13-isobutyrate-20-acetate structure

12-Deoxyphorbol-13-isobutyrate-20-acetate 

structure
  • CAS No:

    25090-71-5

  • Formula:

    C26H36O7

  • Chemical Name:

    12-Deoxyphorbol-13-isobutyrate-20-acetate

  • Synonyms:

    Propanoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester;Isobutyric acid,9a-ester with 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one 3-acetate;Propanoic acid,2-methyl-,3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester,[1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9aα)]-;5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-,3-acetate 9a-isobutyrate;9aH-Cyclopropa[3,4]benz[1,2-e]azulene,propanoic acid deriv.;13-O-Isobutyryl-12-deoxyphorbol 20-acetate;12-Deoxyphorbol-13-isobutyrate-20-acetate;20-O-Acetyl-13-O-isobutyryl-12-Deoxyphorbol

12-Deoxyphorbol-13-isobutyrate-20-acetate Basic Attributes

87.09718

460.56

Characteristics

110.13000

2.73700

Clear or whitish film adhered to inside of vial

1.1234 (rough estimate)

485.38°C (rough estimate)

184.7ºC

1.568

2.33E-15mmHg at 25°C

Drug Information

12-deoxyphorbol-13-isobutyrate-20-acetate

Computed Properties

Molecular Weight:460.6
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:460.24610348
Monoisotopic Mass:460.24610348
Topological Polar Surface Area:110
Heavy Atom Count:33
Complexity:975
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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