ChemSpider 2D Image | lucidenic acid B | C27H38O7

lucidenic acid B

  • Molecular FormulaC27H38O7
  • Average mass474.586 Da
  • Monoisotopic mass474.261749 Da
  • ChemSpider ID62879805

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,7β,12β)-7,12-Dihydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-oic acid [ACD/IUPAC Name]
(5α,7β,12β)-7,12-Dihydroxy-4,4,14-trimethyl-3,11,15-trioxochol-8-en-24-säure [German] [ACD/IUPAC Name]
95311-95-8 [RN]
Acide (5α,7β,12β)-7,12-dihydroxy-4,4,14-triméthyl-3,11,15-trioxochol-8-én-24-oïque [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 7,12-dihydroxy-4,4,14-trimethyl-3,11,15-trioxo-, (5α,7β,12β)- [ACD/Index Name]
lucidenic acid B
(R)-4-((5R,7S,10S,12S,13R,14R,17R)-7,12-dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
MFCD29917903

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 676.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.6±6.0 kJ/mol
    Flash Point: 376.8±28.0 °C
    Index of Refraction: 1.576
    Molar Refractivity: 123.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): 1.26
    ACD/BCF (pH 5.5): 3.36
    ACD/KOC (pH 5.5): 47.35
    ACD/LogD (pH 7.4): -0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 129 Å2
    Polarizability: 48.9±0.5 10-24cm3
    Surface Tension: 56.2±5.0 dyne/cm
    Molar Volume: 372.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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