ChemSpider 2D Image | LUCIDENIC ACID E | C29H40O8

LUCIDENIC ACID E

  • Molecular FormulaC29H40O8
  • Average mass516.623 Da
  • Monoisotopic mass516.272339 Da
  • ChemSpider ID10356958

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,12β)-12-Acetoxy-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oic acid [ACD/IUPAC Name]
(3β,5α,12β)-12-Acetoxy-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-säure [German] [ACD/IUPAC Name]
98665-17-9 [RN]
Acide (3β,5α,12β)-12-acétoxy-3-hydroxy-4,4,14-triméthyl-7,11,15-trioxochol-8-én-24-oïque [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 12-(acetyloxy)-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxo-, (3β,5α,12β)- [ACD/Index Name]
LUCIDENIC ACID E
Lucidenic acid E2
(3?,?5?,?12?)?-12-?(acetyloxy)?-?3-?hydroxy-?4,?4,?14-?trimethyl-?7,?11,?15-?trioxo-Chol-?8-?en-?24-?oic acid
(3β,5α,12β)-12-(acetyloxy)-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxochol-8-en-24-oic acid
(R)-4-((3S,5R,10S,12S,13R,14R,17R)-12-acetoxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9JL816P10I [DBID]
UNII:9JL816P10I [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 662.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.6±6.0 kJ/mol
    Flash Point: 212.6±25.0 °C
    Index of Refraction: 1.561
    Molar Refractivity: 132.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 30.06
    ACD/KOC (pH 5.5): 227.51
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.61
    Polar Surface Area: 135 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 53.4±5.0 dyne/cm
    Molar Volume: 410.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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