Found 1 result

Search term: 4945322 (Found by CSID)
ChemSpider 2D Image | (2S,4R,9beta,16alpha,23E)-2-(beta-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate | C38H56O13

(2S,4R,9β,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID4945322

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2S,4R,9β,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate [ACD/IUPAC Name]
(2S,4R,9β,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S,4R,9β,16α,23E)-2-(β-D-glucopyranosyloxy)-16,20-dihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-5,23-dién-25-yle [French] [ACD/IUPAC Name]
Estr-5-ene-3,11-dione, 17-[(1R,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(β-D-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2β,9β,10α,16α,17β)- [ACD/Index Name]
[(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate
19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2-(β-D-glucophranosyloxy)-16,20-dihydroxy-9-methyl-, (2β, 9β, 10apha, 16α,23E)-
65247-27-0 [RN]
Arvenin I
Cucurbitacin B 2-O-β-D-glucoside
MFCD21363965

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 856.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 141.4±6.0 kJ/mol
    Flash Point: 257.9±27.8 °C
    Index of Refraction: 1.594
    Molar Refractivity: 182.1±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 6
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 0.38
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 2.61
    ACD/KOC (pH 5.5): 69.19
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 2.61
    ACD/KOC (pH 7.4): 69.19
    Polar Surface Area: 217 Å2
    Polarizability: 72.2±0.5 10-24cm3
    Surface Tension: 63.8±5.0 dyne/cm
    Molar Volume: 537.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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