[(4R,5S,6S,9R,10R,12R,14S)-4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate
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![[(4R,5S,6S,9R,10R,12R,14S)-4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a779a769fc03442bbead1fb722d62473.png "[(4R,5S,6S,9R,10R,12R,14S)-4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate")
[(4R,5S,6S,9R,10R,12R,14S)-4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate
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CAS No:
37394-33-5
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Formula:
C36H58O6
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Chemical Name:
[(4R,5S,6S,9R,10R,12R,14S)-4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate
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Synonyms:
Ingenane hexadecanoate;37394-33-5;1H-2,8a-Methanocyclopenta(a)cyclopropa(e)cyclodecen-11-one, 2,5,5a,6,9,10,10a,1a-octahydro-4-hydroxymethyl-1,1,7,9-tetramethyl-5,5a,6-trihydroxy-, 5-hexadecanoate;DTXSID00958496;5a,6-Dihydroxy-4-(hydroxymethyl)-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-5-yl hexadecanoate
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CAS No:
[(4R,5S,6S,9R,10R,12R,14S)-4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate Basic Attributes
586.8 g/mol
586.42333957 g/mol
Computed Properties
Molecular Weight:586.8
XLogP3:7.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:586.42333957
Monoisotopic Mass:586.42333957
Topological Polar Surface Area:104
Heavy Atom Count:42
Complexity:1030
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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