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Home > Encyclopedia > Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate

Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate

Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate structure

Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate 

structure
  • CAS No:

    27124-12-5

  • Formula:

    C25H32N2O7

  • Chemical Name:

    Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate

  • Synonyms:

    5-Isoquinolinecarboxylic acid,7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-,methyl ester,(4aS,5S,6R,7R,8aS)-;2,3-Seco-20α-yohimban-16β-carboxylic acid,18β-hydroxy-10,17α-dimethoxy-3-oxo-,methyl ester,acetate (ester);2,3-Secodeserpidic acid,10-methoxy-3-oxo-,methyl ester,acetate;Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate;Methyl 18β-acetoxy-10,17α-dimethoxy-3-oxo-2,3-seco-20α-yohimban-16β-carboxylate;74467-56-4

Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate Basic Attributes

472.5 g/mol

472.53

248-239-1

Characteristics

107 Ų

141-142 °C

Computed Properties

Molecular Weight:472.5
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:472.22095136
Monoisotopic Mass:472.22095136
Topological Polar Surface Area:107
Heavy Atom Count:34
Complexity:762
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Methyl (4aS,5S,6R,7R,8aS)-7-(acetyloxy)decahydro-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5-isoquinolinecarboxylate

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