ChemSpider 2D Image | Scutellaric acid | C30H48O4

Scutellaric acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23343169

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α)-3,24-Dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3α)-3,24-Dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
102919-76-6 [RN]
Acide (3α)-3,24-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,24-dihydroxy-, (3α)- [ACD/Index Name]
Scutellaric acid
(4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
[102919-76-6] [RN]
24-hydroxy-3-epi-oleanolic acid
CHEMBL492472
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GKB52TAX5N [DBID]
UNII:GKB52TAX5N [DBID]
UNII-GKB52TAX5N [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 589.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.0±6.0 kJ/mol
    Flash Point: 324.3±26.6 °C
    Index of Refraction: 1.569
    Molar Refractivity: 135.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 7.41
    ACD/LogD (pH 5.5): 6.25
    ACD/BCF (pH 5.5): 19896.02
    ACD/KOC (pH 5.5): 22766.34
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 313.18
    ACD/KOC (pH 7.4): 358.36
    Polar Surface Area: 78 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 49.7±5.0 dyne/cm
    Molar Volume: 412.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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