Cas no 117591-81-8 (Coronarin E)

Coronarin E structure
Coronarin E structure
Product Name:Coronarin E
CAS No:117591-81-8
MF:C20H28O
MW:284.435726165771
CID:225674
PubChem ID:9971144
Update Time:2025-04-19

Coronarin E Chemical and Physical Properties

Names and Identifiers

    • Coronarin E
    • Furan,3-[(1E)-2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]-
    • (+)-Coronarin E
    • Furan,3-[2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethenyl]-, [1S-[1a(E),4ab,8aa]]-
    • [ "15", "16-Epoxy-8(17)", "11", "13(16)", "14-labdatetraene" ]
    • Coranorin E
    • CHEMBL109252
    • F92924
    • 3-(Ethoxy(ethyl)amino)propan-1-ol
    • AKOS032948621
    • FS-10193
    • 117591-81-8
    • 3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
    • CS-0023969
    • HY-N3633
    • 15
    • DA-52060
    • MDL: MFCD00010555
    • Inchi: 1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1
    • InChI Key: QXVXYNOIXUIXBI-NDLVVHCESA-N
    • SMILES: O1C=CC(=C1)/C=C/[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C

Computed Properties

  • Exact Mass: 284.214015512g/mol
  • Monoisotopic Mass: 284.214015512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 433
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.2
  • Topological Polar Surface Area: 13.1?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 806.5±75.0 °C at 760 mmHg
  • Flash Point: 441.5±37.1 °C
  • Vapor Pressure: 0.0±3.0 mmHg at 25°C

Coronarin E Security Information

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