ChemSpider 2D Image | (13alpha)-13-Hydroxykaur-16-en-18-oic acid | C20H30O3

(13α)-13-Hydroxykaur-16-en-18-oic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID28536991

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(13α)-13-Hydroxykaur-16-en-18-oic acid [ACD/IUPAC Name]
(13α)-13-Hydroxykaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide (13α)-13-hydroxykaur-16-én-18-oïque [French] [ACD/IUPAC Name]
(1S,4R,5R,9R,10S,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹?.0?,?]hexadecane-5-carboxylic acid
(4R)-13-Hydroxykaur-16-en-18-oic acid
(4R,4aR,6aS,9S,11aS,11bR)-9-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
MFCD00210558 [MDL number]
steviol [Wiki]
Stevioside [Wiki]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 464.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 83.7±6.0 kJ/mol
    Flash Point: 248.8±25.2 °C
    Index of Refraction: 1.569
    Molar Refractivity: 89.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.44
    ACD/LogD (pH 5.5): 3.57
    ACD/BCF (pH 5.5): 182.20
    ACD/KOC (pH 5.5): 791.25
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 2.87
    ACD/KOC (pH 7.4): 12.45
    Polar Surface Area: 58 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 272.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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