ChemSpider 2D Image | (6alpha,16alpha)-6,16-Dihydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid | C31H46O5

(6α,16α)-6,16-Dihydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC31H46O5
  • Average mass498.694 Da
  • Monoisotopic mass498.334534 Da
  • ChemSpider ID57256983

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,16α)-6,16-Dihydroxy-24-methylen-3-oxolanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
(6α,16α)-6,16-Dihydroxy-24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
Acide (6α,16α)-6,16-dihydroxy-24-méthylène-3-oxolanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 6,16-dihydroxy-24-methylene-3-oxo-, (6α,16α)- [ACD/Index Name]
(2R)-2-[(5R,6S,10S,13R,14R,16R,17R)-6,16-dihydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
24513-63-1 [RN]
6|A-Hydroxypolyporenic acid C
6α-Hydroxypolyporenic acid C
6α-Hydroxypolyporenic acid C

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 655.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.5±6.0 kJ/mol
    Flash Point: 364.0±28.0 °C
    Index of Refraction: 1.566
    Molar Refractivity: 141.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 3.86
    ACD/BCF (pH 5.5): 290.58
    ACD/KOC (pH 5.5): 1046.79
    ACD/LogD (pH 7.4): 2.06
    ACD/BCF (pH 7.4): 4.57
    ACD/KOC (pH 7.4): 16.46
    Polar Surface Area: 95 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 48.5±5.0 dyne/cm
    Molar Volume: 432.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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