Cas no 1805-85-2 (Hasubanan-6-one,7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl-)

Hasubanan-6-one,7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl- structure
1805-85-2 structure
Product Name:Hasubanan-6-one,7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl-
CAS No:1805-85-2
MF:C21H27NO5
MW:373.442786455154
CID:168111
PubChem ID:442246
Update Time:2026-05-14

Hasubanan-6-one,7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl- Chemical and Physical Properties

Names and Identifiers

    • Hasubanan-6-one,7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl-
    • Hasubanonine
    • 3,4,7,8-tetramethoxy-17-methyl-7,8-didehydrohasubanan-6-one
    • 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one
    • 9TLC4WA6XC
    • HASUBANONINE [MI]
    • SCHEMBL518671
    • HMS2225B14
    • HMS3328J03
    • Hasubanan-6-one, 7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl-
    • Q5680713
    • (-)-Hasubanonine
    • AC1L9CHH
    • hasbanonine
    • (1S,10S)-3,4,11,12-tetramethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
    • O-METHYLAKNADININE
    • MLS002473203
    • SMR001397292
    • SureCN518671
    • DTXSID50170969
    • 1805-85-2
    • UNII-9TLC4WA6XC
    • CHEMBL1724728
    • C09459
    • CHEBI:5629
    • Inchi： InChI=1S/C21H27NO5/c1-22-11-10-20-12-14(23)17(25-3)19(27-5)21(20,22)9-8-13-6-7-15(24-2)18(26-4)16(13)20/h6-7H,8-12H2,1-5H3/t20-,21+/m0/s1
    • InChI Key： DXUSNRCTWFHYFS-LEWJYISDSA-N
    • SMILES： COC1C=CC2=C([C@]34CC(=O)C(OC)=C(OC)[C@@]3(CC2)N(CC4)C)C=1OC

Computed Properties

  • Exact Mass: 373.18892296g/mol
  • Monoisotopic Mass: 373.18892296g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 649
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • Melting Point: 116°
  • Specific Rotation: D -219° (ethanol)

Hasubanan-6-one,7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl- Related Literature

  • 1. Biosynthesis. Part 24. Speculative incorporation experiments with 1-benzylisoquinolines and a logical approach via C6–C2 and C6–C3 precursors to the biosynthesis of hasubanonine and protostephanine
    Alan R. Battersby,Raymond C. F. Jones,Rymantas Kazlauskas,Craig W. Thornber,Somsak Ruchirawat,James Staunton J. Chem. Soc. Perkin Trans. 1 1981 2016
  • 2. Biosynthesis. Part 23. Degradative studies on the alkaloids hasubanonine and protostephanine from Stephania japonica
    Alan R. Battersby,Raymond C. F. Jones,Rymantas Kazlauskas,Anthony P. Ottridge,Christiane Poupat,James Staunton J. Chem. Soc. Perkin Trans. 1 1981 2010
  • 3. Biosynthesis. Part 25. Proof that hasubanonine and protostephanine are biosynthesised from the 1-benzylisoquinoline system
    Alan R. Battersby,Raymond C. F. Jones,Akwasi Minta,Anthony P. Ottridge,James Staunton J. Chem. Soc. Perkin Trans. 1 1981 2030
  • 4. The biosynthesis of hasubanonine and protostephanine
    Alan R. Battersby,Raymond C. F. Jones,Rymantas Kazlauskas,Christiane Poupat,Craig W. Thornber,Somsak Ruchirawat,James Staunton J. Chem. Soc. Chem. Commun. 1974 773
  • 5. The X-ray analyses of acutumine and its acetate; a trial of a short cut in the structure elucidation
    Masao Nishikawa,Kazuhide Kamiya,Masao Tomita,Yasuko Okamoto,Tohru Kikuchi,Kenji Osaki,Yujiro Tomiie,Isamu Nitta,K. Goto J. Chem. Soc. B 1968 652

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