ChemSpider 2D Image | (3beta)-3-{[2-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid | C41H66O12

(3β)-3-{[2-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID20148483

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β)-3-{[2-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[2-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[2-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-((2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy)-, (3β)-
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, (3β)- [ACD/Index Name]
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
3-O-[2-O-??-D-glucopyranosyl-??-L-arabinopyranosyl]oleanolic acid
60213-69-6 [RN]
Fatsiaside C
MFCD29049457
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 849.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 140.4±6.0 kJ/mol
    Flash Point: 250.7±27.8 °C
    Index of Refraction: 1.601
    Molar Refractivity: 194.9±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 7
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 4
    ACD/LogP: 6.70
    ACD/LogD (pH 5.5): 4.85
    ACD/BCF (pH 5.5): 1714.79
    ACD/KOC (pH 5.5): 3941.22
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 26.99
    ACD/KOC (pH 7.4): 62.04
    Polar Surface Area: 196 Å2
    Polarizability: 77.3±0.5 10-24cm3
    Surface Tension: 63.7±5.0 dyne/cm
    Molar Volume: 568.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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