ChemSpider 2D Image | Dihydrocucurbitacin F | C30H48O7

Dihydrocucurbitacin F

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID8657204

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2S,4R,9β,16α)-1,2,16,20,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-11,22-dion [German] [ACD/IUPAC Name]
(1S,2S,4R,9β,16α)-1,2,16,20,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-11,22-dione [ACD/IUPAC Name]
(1S,2S,4R,9β,16α)-1,2,16,20,25-Pentahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-ène-11,22-dione [French] [ACD/IUPAC Name]
19-Norlanost-5-ene-11,22-dione, 2,3,16,20,25-pentahydroxy-9-methyl-, (2β,3α,9β,10α,16α)-
50298-90-3 [RN]
Dihydrocucurbitacin F
Estr-5-en-11-one, 17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohexyl]-2,3,16-trihydroxy-4,4,9,14-tetramethyl-, (2β,3α,9β,10α,16α,17β)- [ACD/Index Name]
(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-((R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,4,7,8,9,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one
(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
[50298-90-3] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 668.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.4±6.0 kJ/mol
    Flash Point: 372.0±28.0 °C
    Index of Refraction: 1.577
    Molar Refractivity: 140.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 46.10
    ACD/KOC (pH 5.5): 540.16
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 46.10
    ACD/KOC (pH 7.4): 540.16
    Polar Surface Area: 135 Å2
    Polarizability: 55.6±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 423.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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