Found 44 results

Search term: C36H54O12 (Found by molecular formula)
ChemSpider 2D Image | (2alpha,3beta,16alpha)-3-(beta-D-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-oic acid | C36H54O12

(2α,3β,16α)-3-(β-D-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-oic acid

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID57620810

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2α,3β,16α)-3-(β-D-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,16α)-3-(β-D-Glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-epoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β,16α)-3-(β-D-glucopyranosyloxy)-16,23-dihydroxy-24-oxo-2,24-époxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,23-epoxy-3-(β-D-glucopyranosyloxy)-16,24-dihydroxy-23-oxo-, (2α,3β,16α)- [ACD/Index Name]
(1S,2R,5R,6S,8R,9R,14S,18R,19R,21S,24R)-8-hydroxy-1-(hydroxymethyl)-5,6,12,12,19-pentamethyl-23-oxo-24-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-15-ene-9-carboxylic acid
3-O-β-D-glucopyranosyl 3β,16A,23-trihydroxyolean-12-en-2,24-lactone-29-oic acid
917482-67-8 [RN]
Platycoside M1

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 858.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 141.8±6.0 kJ/mol
    Flash Point: 265.7±27.8 °C
    Index of Refraction: 1.630
    Molar Refractivity: 170.1±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 0.70
    ACD/BCF (pH 5.5): 1.05
    ACD/KOC (pH 5.5): 16.93
    ACD/LogD (pH 7.4): -1.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 203 Å2
    Polarizability: 67.4±0.5 10-24cm3
    Surface Tension: 72.4±5.0 dyne/cm
    Molar Volume: 478.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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