ChemSpider 2D Image | (1alpha,3beta,9beta)-1,3-Dihydroxy-24-methylene-9,19-cyclolanostan-28-oic acid | C31H50O4

(1α,3β,9β)-1,3-Dihydroxy-24-methylene-9,19-cyclolanostan-28-oic acid

  • Molecular FormulaC31H50O4
  • Average mass486.726 Da
  • Monoisotopic mass486.370911 Da
  • ChemSpider ID23201169

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,3β,9β)-1,3-Dihydroxy-24-methylen-9,19-cyclolanostan-28-säure [German] [ACD/IUPAC Name]
(1α,3β,9β)-1,3-Dihydroxy-24-methylene-9,19-cyclolanostan-28-oic acid [ACD/IUPAC Name]
(1α,3β,9β)-1,3-dihydroxy-24-methylidene-9,19-cyclolanostan-28-oic acid
9,19-Cyclolanostan-28-oic acid, 1,3-dihydroxy-24-methylene-, (1α,3β,9β)- [ACD/Index Name]
Acide (1α,3β,9β)-1,3-dihydroxy-24-méthylène-9,19-cyclolanostan-28-oïque [French] [ACD/IUPAC Name]
(1S,3S,4S,5R,8S,9S,10S,13R,14S,17R)-17-((R)-1,5-Dimethyl-4-methylene-hexyl)-1,3-dihydroxy-4,13,14-trimethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthrene-4-carboxylic acid
[215609-93-1] [RN]
215609-93-1 [RN]
23-deoxojessic acid
MFCD20260671

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 605.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 103.2±6.0 kJ/mol
    Flash Point: 333.9±28.0 °C
    Index of Refraction: 1.560
    Molar Refractivity: 139.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 8.16
    ACD/LogD (pH 5.5): 5.78
    ACD/BCF (pH 5.5): 6828.70
    ACD/KOC (pH 5.5): 7821.19
    ACD/LogD (pH 7.4): 4.02
    ACD/BCF (pH 7.4): 118.54
    ACD/KOC (pH 7.4): 135.77
    Polar Surface Area: 78 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 47.5±5.0 dyne/cm
    Molar Volume: 431.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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