ChemSpider 2D Image | Carbenoxolone | C34H50O7

Carbenoxolone

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID552190

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-[(3-carboxypropanoyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
(3b,20b)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic Acid
(3β)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-[(3-Carboxypropanoyl)oxy]-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
18b-Glycyrrhetic Acid Hydrogen Succinate
18β-glycyrrhetic acid hydrogen succinate
227-174-2 [EINECS]
3b-Hydroxy-11-oxoolean-12-en-30-oic Acid Hydrogen Succinate
3-O-(b-Carboxypropionyl)-11-oxo-18b-olean-12-en-30-oic Acid
3-β-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-oic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1789 [DBID]
MM6384NG73 [DBID]
Prestwick0_000837 [DBID]
Prestwick1_000837 [DBID]
SPBio_002714 [DBID]
UNII:MM6384NG73 [DBID]
UNII-MM6384NG73 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 687.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.6 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±6.0 kJ/mol
    Flash Point: 211.6±25.0 °C
    Index of Refraction: 1.562
    Molar Refractivity: 154.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 7.08
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 1121.74
    ACD/KOC (pH 5.5): 1444.80
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 2.21
    ACD/KOC (pH 7.4): 2.85
    Polar Surface Area: 118 Å2
    Polarizability: 61.1±0.5 10-24cm3
    Surface Tension: 51.4±5.0 dyne/cm
    Molar Volume: 475.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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