methyl (1R,3R,4aS,10aR)-6,8-dichloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
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methyl (1R,3R,4aS,10aR)-6,8-dichloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
structure -
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CAS No:
86547-20-8
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Formula:
C21H28Cl2O4
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Chemical Name:
methyl (1R,3R,4aS,10aR)-6,8-dichloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
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Synonyms:
1-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-3-hydroxy-7-(2-hydroxy-1-methylethyl)-1,4a-dimethyl-, methyl ester, (1R-(1alpha,3alpha,4abeta,7(R*),10aalpha))-;86547-20-8
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CAS No:
methyl (1R,3R,4aS,10aR)-6,8-dichloro-3-hydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Basic Attributes
415.3 g/mol
414.1364648 g/mol
Computed Properties
Molecular Weight:415.3
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:414.1364648
Monoisotopic Mass:414.1364648
Topological Polar Surface Area:66.8
Heavy Atom Count:27
Complexity:572
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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