[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
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![[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3752980590094cd89310c255a5cc2104.png "[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate")
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
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CAS No:
37558-19-3
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Formula:
C48H80O8
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Chemical Name:
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
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Synonyms:
37558-19-3;Phorbol 12,13-ditetradecanoate;Phorbol 12,13-dimyristate;Tetradecanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1ar-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-beta,8-alpha,9-beta,9a-alpha))-;DTXSID20958630;(1aR)-1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-Decahydro-5-oxo-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-4abeta,7balpha,9beta,9aalpha-tetrol 9,9a-dimyristate;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]azulene-9,9a-diyl ditetradecanoate
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CAS No:
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate Basic Attributes
785.1 g/mol
784.58531951 g/mol
Computed Properties
Molecular Weight:785.1
XLogP3:12.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:29
Exact Mass:784.58531951
Monoisotopic Mass:784.58531951
Topological Polar Surface Area:130
Heavy Atom Count:56
Complexity:1350
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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