Cas no 630057-39-5 (Neoprzewaquinone A)

Neoprzewaquinone A structure
Neoprzewaquinone A structure
Product Name:Neoprzewaquinone A
CAS No:630057-39-5
MF:C36H28O6
MW:556.6039
CID:837338
PubChem ID:124222343
Update Time:2024-12-09

Neoprzewaquinone A Chemical and Physical Properties

Names and Identifiers

    • Neoprzewaquinone A
    • [ "" ]
    • (2Z)-2,11,28-Trimethyl-19-methylidene-13,30-dioxaheptacyclo[21.11.0.06,18.07,15.010,14.024,32.027,31
    • 630057-39-5
    • CID 124222343
    • (2Z)-2,11,28-trimethyl-19-methylidene-13,30-dioxaheptacyclo[21.11.0.06,18.07,15.010,14.024,32.027,31]tetratriaconta-1(23),2,6(18),7(15),10(14),11,16,24(32),27(31),28,33-undecaene-8,9,25,26-tetrone
    • GLXC-14644
    • Neoprzewaquine A
    • Inchi: 1S/C36H28O6/c1-17-7-5-9-24-22(12-14-26-30(24)34(40)32(38)28-20(4)16-42-36(26)28)18(2)8-6-10-23-21(17)11-13-25-29(23)33(39)31(37)27-19(3)15-41-35(25)27/h8,11-16H,1,5-7,9-10H2,2-4H3/b18-8-
    • InChI Key: SXQCYGZVSVUMEL-LSCVHKIXSA-N
    • SMILES: O1C([H])=C(C([H])([H])[H])C2C(C(C3=C(C([H])=C([H])C4C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])C5C6C(C(C7C(C([H])([H])[H])=C([H])OC=7C=6C([H])=C([H])C=5C(=C([H])[H])C([H])([H])C([H])([H])C([H])([H])C3=4)=O)=O)C1=2)=O)=O |t:22|

Computed Properties

  • Exact Mass: 556.18900
  • Monoisotopic Mass: 556.18858861 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 0
  • Complexity: 1220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 94.6
  • Molecular Weight: 556.6
  • XLogP3: 6.4

Experimental Properties

  • Color/Form: Red powder
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 799.2±60.0 °C at 760 mmHg
  • Flash Point: 411.7±25.6 °C
  • PSA: 94.56000
  • LogP: 7.96700
  • Vapor Pressure: 0.0±2.8 mmHg at 25°C

Neoprzewaquinone A Security Information

Neoprzewaquinone A Pricemore >>

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