ChemSpider 2D Image | 23-Hydroxy-3-oxoolean-12-en-28-oic acid | C30H46O4

23-Hydroxy-3-oxoolean-12-en-28-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID26607080

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

23-Hydroxy-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
23-Hydroxy-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 23-hydroxy-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 23-hydroxy-3-oxo- [ACD/Index Name]
(4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
[466-01-3] [RN]
466-01-3 [RN]
CID 12310388
Hederagonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797141/
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: 587.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±6.0 kJ/mol
    Flash Point: 323.4±26.6 °C
    Index of Refraction: 1.564
    Molar Refractivity: 133.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.95
    ACD/LogD (pH 5.5): 5.98
    ACD/BCF (pH 5.5): 12386.78
    ACD/KOC (pH 5.5): 16268.07
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 195.05
    ACD/KOC (pH 7.4): 256.16
    Polar Surface Area: 75 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 48.4±5.0 dyne/cm
    Molar Volume: 411.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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