ChemSpider 2D Image | kansuinin B | C38H42O14

kansuinin B

  • Molecular FormulaC38H42O14
  • Average mass722.732 Da
  • Monoisotopic mass722.257446 Da
  • ChemSpider ID390598

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-Diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylen-3,11-dioxotetradecahydro-1aH-cyclopenta[5,6]cyclododeca[1,2-b]oxiren-5,7-diyl-dibenzoat [German] [ACD/IUPAC Name]
(1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-Diacetoxy-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-3,11-dioxotetradecahydro-1aH-cyclopenta[5,6]cyclododeca[1,2-b]oxirene-5,7-diyl dibenzoate [ACD/IUPAC Name]
2H-Cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione, 8,10a-bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-, (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,1 2S,12aS)- [ACD/Index Name]
Dibenzoate de (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-diacétoxy-4,9,10-trihydroxy-2,2,9,12-tétraméthyl-6-méthylène-3,11-dioxotétradécahydro-1aH-cyclopenta[5,6]cyclododéca[1,2-b]oxirène-5,7-di yle [French] [ACD/IUPAC Name]
kansuinin B
Kansuinine B
57685-46-8 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09122 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 784.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.7±3.0 kJ/mol
    Flash Point: 236.6±26.4 °C
    Index of Refraction: 1.607
    Molar Refractivity: 179.1±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 5.57
    ACD/LogD (pH 5.5): 3.83
    ACD/BCF (pH 5.5): 475.41
    ACD/KOC (pH 5.5): 2869.79
    ACD/LogD (pH 7.4): 3.83
    ACD/BCF (pH 7.4): 475.36
    ACD/KOC (pH 7.4): 2869.49
    Polar Surface Area: 213 Å2
    Polarizability: 71.0±0.5 10-24cm3
    Surface Tension: 64.6±5.0 dyne/cm
    Molar Volume: 518.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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