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Home > Encyclopedia > methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate structure

methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate 

structure
  • CAS No:

    83353-99-5

  • Formula:

    C23H31ClO5

  • Chemical Name:

    methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

  • Synonyms:

    83353-99-5;DTXSID801003348;Methyl 2-(acetyloxy)-14-chloro-15-hydroxyabieta-8,11,13-trien-18-oate;1-Phenanthrenecarboxylic acid, 3-(acetyloxy)-8-chloro-1,2,3,4,4a,9,10,10a-octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, methyl ester, (1R-(1alpha,3alpha,4abeta,10aalpha))-

methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Basic Attributes

422.9 g/mol

422.1860018 g/mol

Characteristics

72.8 Ų

Computed Properties

Molecular Weight:422.9
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:422.1860018
Monoisotopic Mass:422.1860018
Topological Polar Surface Area:72.8
Heavy Atom Count:29
Complexity:664
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1R,3R,4aS,10aR)-3-acetyloxy-8-chloro-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

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