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Home > Encyclopedia > (5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate

(5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate

(5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate structure

(5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate 

structure
  • CAS No:

    74690-92-9

  • Formula:

    C27H38O7

  • Chemical Name:

    (5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate

  • Synonyms:

    20-O-isobutyryl-3-O-propionylingenol;ingenol-3-propionate-20-isobutyrate;ingenol-PIB;Ingenol-pib;74690-92-9;Ingenol-3-propionate-20-isobutyrate;20-O-Isobutyryl-3-O-propionylingenol;DTXSID60996213;[5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-6-(propanoyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-4-yl]methyl 2-methylpropanoate;Propanoic acid, 2-methyl-, (1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-6-(1-oxopropoxy)-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-

(5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate Basic Attributes

474.6 g/mol

474.26175355 g/mol

Characteristics

110 Ų

Drug Information

20-O-isobutyryl-3-O-propionylingenol

Computed Properties

Molecular Weight:474.6
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:474.26175355
Monoisotopic Mass:474.26175355
Topological Polar Surface Area:110
Heavy Atom Count:34
Complexity:976
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate

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