ChemSpider 2D Image | Agosterol A | C33H52O8

Agosterol A

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID8523614

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,4β,5α,6α,11α,22R)-11,22-Dihydroxycholest-7-en-3,4,6-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,4β,5α,6α,11α,22R)-11,22-Dihydroxycholest-7-ene-3,4,6-triyl triacetate [ACD/IUPAC Name]
Agosterol A [Wiki]
Cholest-7-ene-3,4,6,11,22-pentol, 3,4,6-triacetate, (3β,4β,5α,6α,11α,22R)- [ACD/Index Name]
Triacétate de (3β,4β,5α,6α,11α,22R)-11,22-dihydroxycholest-7-ène-3,4,6-triyle [French] [ACD/IUPAC Name]
[(3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-4,6-diacetyloxy-11-hydroxy-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
213549-32-7 [RN]
Acetic acid (3S,4R,5S,6S,9R,10R,11R,13R,14R,17R)-3,6-diacetoxy-11-hydroxy-17-((1S,2R)-2-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl ester
MFCD06200751

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 634.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 107.5±6.0 kJ/mol
    Flash Point: 190.4±25.0 °C
    Index of Refraction: 1.537
    Molar Refractivity: 154.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.39
    ACD/LogD (pH 5.5): 5.20
    ACD/BCF (pH 5.5): 5293.24
    ACD/KOC (pH 5.5): 16107.65
    ACD/LogD (pH 7.4): 5.20
    ACD/BCF (pH 7.4): 5293.24
    ACD/KOC (pH 7.4): 16107.65
    Polar Surface Area: 119 Å2
    Polarizability: 61.4±0.5 10-24cm3
    Surface Tension: 47.0±5.0 dyne/cm
    Molar Volume: 495.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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