[(2R,6R,7S,8S,10R,12R,13R)-12-acetyloxy-8-hydroxy-2,6,13-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate
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[(2R,6R,7S,8S,10R,12R,13R)-12-acetyloxy-8-hydroxy-2,6,13-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate
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CAS No:
129082-58-2
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Formula:
C24H38O5
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Chemical Name:
[(2R,6R,7S,8S,10R,12R,13R)-12-acetyloxy-8-hydroxy-2,6,13-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate
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Synonyms:
diacetyl scopadol;diacetylscopadol;Diacetylscopadol;129082-58-2;Diacetyl scopadol;DTXSID60926292;[8-(Acetyloxy)-5-hydroxy-4,9,11b-trimethyltetradecahydro-9,11a-methanocyclohepta[a]naphthalen-4-yl]methyl acetate
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CAS No:
[(2R,6R,7S,8S,10R,12R,13R)-12-acetyloxy-8-hydroxy-2,6,13-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl acetate Basic Attributes
406.6 g/mol
406.27192431 g/mol
Computed Properties
Molecular Weight:406.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:406.27192431
Monoisotopic Mass:406.27192431
Topological Polar Surface Area:72.8
Heavy Atom Count:29
Complexity:705
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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