Cas no 24148-86-5 (Hasubanan-6-one,7,8-didehydro-4-hydroxy-3,7,8-trimethoxy-17-methyl-)

Hasubanan-6-one,7,8-didehydro-4-hydroxy-3,7,8-trimethoxy-17-methyl- structure
24148-86-5 structure
Product Name:Hasubanan-6-one,7,8-didehydro-4-hydroxy-3,7,8-trimethoxy-17-methyl-
CAS No:24148-86-5
MF:C20H25NO5
MW:359.4162
CID:256433
PubChem ID:159966
Update Time:2024-02-29

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

Names and Identifiers

    • Hasubanan-6-one,7,8-didehydro-4-hydroxy-3,7,8-trimethoxy-17-methyl-
    • (1S,10S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
    • (1S, 10S)-3-hydroxy-4, 11, 12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01, 10.02, 7]heptadeca-2(7), 3, 5, 11-tetraen-13-one
    • NSC-135030
    • CHEMBL1098359
    • Q15634057
    • Aknadinine
    • AKOS040750269
    • Hernandoline
    • UNII-V5XGU77PZ9
    • V5XGU77PZ9
    • 4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
    • 7,8-DIDEHYDRO-4-HYDROXY-3,7,8-TRIMETHOXY-17-METHYLHASUBANAN-6-ONE
    • HASUBANAN-6-ONE, 7,8-DIDEHYDRO-4-HYDROXY-3,7,8-TRIMETHOXY-17-METHYL-
    • 4-DEMETHYLHASUBANONINE
    • BDBM50316548
    • 24148-86-5
    • NSC 135030
    • Hasubanonine, O4-demethyl-
    • NSC135030
    • DTXSID00946979
    • SCHEMBL8213521
    • O4-Demethylhasubanonine
    • Inchi: InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3
    • InChI Key: XLWYWPDYNLZUJS-UHFFFAOYSA-N
    • SMILES: COC1C=CC2=C(C34CC(=O)C(OC)=C(OC)C3(CC2)N(CC4)C)C=1O

Computed Properties

  • Exact Mass: 359.173
  • Monoisotopic Mass: 359.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 634
  • 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: 1.7
  • Topological Polar Surface Area: 68.2?2

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.3
  • Boiling Point: 565.2°C at 760 mmHg
  • Flash Point: 295.6°C
  • Refractive Index: 1.614
  • PSA: 68.23000
  • LogP: 2.07420

Hasubanan-6-one,7,8-didehydro-4-hydroxy-3,7,8-trimethoxy-17-methyl- Security Information

  • Signal Word:Warning
  • Storage Condition:Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
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