Cas no 2671-27-4 (10,11-Dimethoxyschizogalan-14-one)

10,11-Dimethoxyschizogalan-14-one structure
2671-27-4 structure
Product Name:10,11-Dimethoxyschizogalan-14-one
CAS No:2671-27-4
MF:C21H24N2O3
MW:352.426865577698
CID:270111
Update Time:2024-02-29

10,11-Dimethoxyschizogalan-14-one Chemical and Physical Properties

Names and Identifiers

    • 5H,13bH-13a,13c-Ethano-3H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(13H)-one,6,6a-dihydro-8,9-dimethoxy-, (6aS,13aS,13bS,13cR)- (9CI)
    • 5H,13bH-13a,13c-Ethano-3H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(13H)-one,6,6a-dihydro-8,9-dimethoxy-, (6aS,13a
    • 5H,13bH-13a,13c-Ethano-3H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(13H)-one,6,6a-dihydro-8,9-dimethoxy-, [6aS-(6aa,13aa,13bb,13ca)]-
    • Schizogalan-14-one,10,11-dimethoxy-
    • Schizogamine (7CI)
    • Schizogamin
    • CID 101967172
    • 10,11-Dimethoxyschizogalan-14-one
    • Schizogamine
    • 5H,13bH-13a,13c-Ethano-3H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(13H)-one, 6,6a-dihydro-8,9-dimethoxy-, (6aS,13aS,13bS,13cR)- (9CI)
    • Inchi: 1S/C21H24N2O3/c1-25-16-10-13-14-4-9-22-8-3-5-20-6-7-21(14,19(20)22)23(18(24)12-20)15(13)11-17(16)26-2/h3,5,10-11,14,19H,4,6-9,12H2,1-2H3/t14-,19-,20-,21+/m0/s1
    • InChI Key: IWRWXSVJPLAGIK-FXLVCCLPSA-N
    • SMILES: O=C1C[C@]23C=CCN4CC[C@H]5C6C=C(C(=CC=6N1[C@@]5(CC2)[C@@H]43)OC)OC

Computed Properties

  • Exact Mass: 352.179
  • Monoisotopic Mass: 352.179
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 680
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42
  • XLogP3: 0.811

Experimental Properties

  • Melting Point: 123-5°C
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