ChemSpider 2D Image | Alisol C | C30H46O5

Alisol C

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID58145418

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,23S,24R)-11,23-Dihydroxy-24,25-epoxydammar-13(17)-en-3,16-dion [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11,23-Dihydroxy-24,25-epoxydammar-13(17)-ene-3,16-dione [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11,23-Dihydroxy-24,25-époxydammar-13(17)-ène-3,16-dione [French] [ACD/IUPAC Name]
30489-27-1 [RN]
Alisol C
Dammar-13(17)-ene-3,16-dione, 24,25-epoxy-11,23-dihydroxy-, (8α,9β,11β,14β,23S,24R)- [ACD/Index Name]
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 101306923
MFCD30834654

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 611.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.1±6.0 kJ/mol
    Flash Point: 193.0±25.0 °C
    Index of Refraction: 1.559
    Molar Refractivity: 135.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.36
    ACD/LogD (pH 5.5): 4.02
    ACD/BCF (pH 5.5): 669.70
    ACD/KOC (pH 5.5): 3667.47
    ACD/LogD (pH 7.4): 4.02
    ACD/BCF (pH 7.4): 669.70
    ACD/KOC (pH 7.4): 3667.47
    Polar Surface Area: 87 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 47.5±5.0 dyne/cm
    Molar Volume: 418.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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