ChemSpider 2D Image | cimigenol | C30H48O5

cimigenol

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID21468828

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1R,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-22-(2-Hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-2,9-diol [German] [ACD/IUPAC Name]
(1R,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-22-(2-Hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol [ACD/IUPAC Name]
(1R,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-22-(2-Hydroxy-2-propanyl)-3,8,8,17,19-pentaméthyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tétracosane-2,9-diol [French] [ACD/IUPAC Name]
10,12a-Epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2,13-diol, heptadecahydro-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-, (2S,4aR,5aS,7aR,7bR,8R,10R,11R,12aR,13R,13aS ,13bR,15aR)- [ACD/Index Name]
cimigenol
(2S,4aR,5aS,7aR,7bR,8R,11S,12aS,13R,13aS,13bR,15aR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxyc
MFCD00210483

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 610.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.0±6.0 kJ/mol
    Flash Point: 323.1±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 134.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.54
    ACD/LogD (pH 5.5): 4.37
    ACD/BCF (pH 5.5): 1238.53
    ACD/KOC (pH 5.5): 5695.10
    ACD/LogD (pH 7.4): 4.37
    ACD/BCF (pH 7.4): 1238.53
    ACD/KOC (pH 7.4): 5695.10
    Polar Surface Area: 79 Å2
    Polarizability: 53.4±0.5 10-24cm3
    Surface Tension: 52.5±5.0 dyne/cm
    Molar Volume: 399.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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