methyl (1R,4aS,10aR)-6,8-dichloro-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
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![methyl (1R,4aS,10aR)-6,8-dichloro-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0c8d36d89491429ab7237e45f564bea6.png "methyl (1R,4aS,10aR)-6,8-dichloro-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate")
methyl (1R,4aS,10aR)-6,8-dichloro-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
structure -
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CAS No:
86547-16-2
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Formula:
C21H26Cl2O4
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Chemical Name:
methyl (1R,4aS,10aR)-6,8-dichloro-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
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Synonyms:
86547-16-2;DTXSID201006906;1-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-7-(2-hydroxy-1-methylethyl)-1,4a-dimethyl-3-oxo-, methyl ester, (1R-(1alpha,4abeta,7(S*),10aalpha))-;Methyl 12,14-dichloro-16-hydroxy-2-oxoabieta-8(14),9(11),12-trien-18-oate
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CAS No:
methyl (1R,4aS,10aR)-6,8-dichloro-7-[(2S)-1-hydroxypropan-2-yl]-1,4a-dimethyl-3-oxo-4,9,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Basic Attributes
413.3 g/mol
412.1208147 g/mol
Computed Properties
Molecular Weight:413.3
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:412.1208147
Monoisotopic Mass:412.1208147
Topological Polar Surface Area:63.6
Heavy Atom Count:27
Complexity:611
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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