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Home> Encyclopedia > Hot Product Listed 7   > 7,20(2H,19H)-Cyclovobasan, 1,2,18,19-tetradehydro-3,17-epoxy-, (3R,7alpha,20alpha)-
1358-76-5 structure

7,20(2H,19H)-Cyclovobasan, 1,2,18,19-tetradehydro-3,17-epoxy-, (3R,7alpha,20alpha)-

CAS No.:1358-76-5
Molecular Weight:306.40148
Molecular Formula:C20H22N2O (isomer)
Names and Identifiers
Synonyms

(3R,7alpha,20alpha)-1,2,18,19-Tetradehydro-3,17-epoxy-7,20(2H,19H)cyclovobasan 7,20(2H,19H)-Cyclovobasan, 1,2,18,19-tetradehydro-3,17-epoxy-, (3R,7alpha,20alpha)- Koumine

Inchi
InChI=1/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12?,14-,16?,17-,19+,20?/m1/s1
Canonical Smiles
CN1CC2(C3CC4C5=NC6=CC=CC=C6C52CC1C3CO4)C=C
Properties
Density
1.42
Melting Point
168℃
Boiling Point
436.5 °C at 760 mmHg
Refractive Index
1.763
Flash Point
217.8 °C
Precursor and Product
precursor:
128466-34-2
128466-34-2
Computational chemical data
  • Molecular Weight:306.40148g/mol
  • Molecular Formula:C20H22N2O
  • Exact Mass:306.173213
  • Monoisotopic Mass:306.173213
  • Complexity:615
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:24.8
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:6
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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