Cas no 148439-45-6 (Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel-)

Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel- structure
148439-45-6 structure
Product Name:Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel-
CAS No:148439-45-6
MF:C28H32N4O2
MW:456.579
CID:173328
PubChem ID:56930994
Update Time:2024-03-02

Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel-
    • (-)-Communesin A
    • 13,16-Methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindoline,1-acetyl-17-(3,3-dimethyloxiranyl)-1,2,3,8a,9,14,15,16a-octahydro-9-methyl-(9CI)
    • Communesin A
    • Communesine A
    • CHEMBL2269100
    • DTXSID401346641
    • 148439-45-6
    • Inchi： InChI=1S/C28H32N4O2/c1-16(33)31-14-12-27-18-9-5-6-10-19(18)29-24-28(27)13-15-32(25(27)31)22(23-26(2,3)34-23)17-8-7-11-20(21(17)28)30(24)4/h5-11,22-25,29H,12-15H2,1-4H3/t22-,23+,24+,25+,27-,28-/m0/s1
    • InChI Key： QKUUVGNHUMKUAN-SFCIDSGNSA-N
    • SMILES： CC(=O)N1CCC23C1N4CCC25C(NC6=CC=CC=C36)N(C7=CC=CC(=C57)C4C8C(O8)(C)C)C

Computed Properties

  • Exact Mass: 456.25252628g/mol
  • Monoisotopic Mass: 456.25252628g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 924
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 51.4?2

Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel- Related Literature

Related Categories

148439-45-6 (Ethanone,1-[(3aR,8aR,13bR,16R,16aS,17S)-17-(3,3-dimethyl-2-oxiranyl)-2,3,8a,9,14,15-hexahydro-9-methyl-13,16-methano-8H,16H-pyrrolo[2',3':2,3]pyrido[4,3-o]quinindolin-1(16aH)-yl]-,rel-) Related Products

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