[(4R,5S,6S,9R,10R,12R,14S)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate
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![[(4R,5S,6S,9R,10R,12R,14S)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fd0deecd91044ba180fd4937e51e9c03.png "[(4R,5S,6S,9R,10R,12R,14S)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate")
[(4R,5S,6S,9R,10R,12R,14S)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate
structure -
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CAS No:
74690-91-8
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Formula:
C24H34O6
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Chemical Name:
[(4R,5S,6S,9R,10R,12R,14S)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate
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Synonyms:
20-O-isobutyrylingenol;ingenol-20-isobutyrate;Propanoic acid, 2-methyl-, (1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester, (1aR-(1aalpha,2alpha,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-;74690-91-8;Ingenol-20-isobutyrate;20-O-Isobutyrylingenol;DTXSID00996212;Propanoic acid, 2-methyl-, (1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester, (1aR-(1aalpha,2alpha,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-;(5,5a,6-Trihydroxy-1,1,7,9-tetramethyl-11-oxo-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,6-trihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester, (1aR-(1aalpha,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-
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CAS No:
[(4R,5S,6S,9R,10R,12R,14S)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate Basic Attributes
418.5 g/mol
418.23553880 g/mol
Computed Properties
Molecular Weight:418.5
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:418.23553880
Monoisotopic Mass:418.23553880
Topological Polar Surface Area:104
Heavy Atom Count:30
Complexity:854
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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