[(1S,2S,6R,10S,11R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
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![[(1S,2S,6R,10S,11R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/537d6580730c411981b82ac79f2ef56e.png "[(1S,2S,6R,10S,11R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate")
[(1S,2S,6R,10S,11R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
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CAS No:
31365-46-5
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Formula:
C36H56O8
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Chemical Name:
[(1S,2S,6R,10S,11R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
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Synonyms:
31365-46-5;12-O-Acetylphorbol 13-tetradecanoate;13-O-Tetradecanoylphorbol 12-acetate;Phorbol 12-acetate 13-tetradecanoate;DTXSID00953406;9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl tetradecanoate
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CAS No:
[(1S,2S,6R,10S,11R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate Basic Attributes
616.8 g/mol
616.39751874 g/mol
Computed Properties
Molecular Weight:616.8
XLogP3:6.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:616.39751874
Monoisotopic Mass:616.39751874
Topological Polar Surface Area:130
Heavy Atom Count:44
Complexity:1150
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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