ChemSpider 2D Image | β-Elemonic Acid | C30H46O3

β-Elemonic Acid

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID24631445

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5β,13α,14β,20S)-3-Oxolanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(5β,13α,14β,20S)-3-Oxolanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
28282-25-9 [RN]
Acide (5β,13α,14β,20S)-3-oxolanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 3-oxo-, (5β,13α,14β,20S)- [ACD/Index Name]
β-Elemonic Acid
(2S)-6-methyl-2-[(5S,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
(4-methylthiazol-5-yl)methanol
??-Elemons??ure
[1977-06-6] [RN]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 565.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 92.8±6.0 kJ/mol
    Flash Point: 309.6±26.6 °C
    Index of Refraction: 1.542
    Molar Refractivity: 133.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 8.56
    ACD/LogD (pH 5.5): 6.86
    ACD/BCF (pH 5.5): 58298.12
    ACD/KOC (pH 5.5): 49483.12
    ACD/LogD (pH 7.4): 5.06
    ACD/BCF (pH 7.4): 918.39
    ACD/KOC (pH 7.4): 779.53
    Polar Surface Area: 54 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 42.4±5.0 dyne/cm
    Molar Volume: 424.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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