ChemSpider 2D Image | (3alpha,13alpha,14beta,17alpha,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-yl acetate | C32H50O5

(3α,13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-yl acetate

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID28425577

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-yl acetate [ACD/IUPAC Name]
(3α,13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,13α,14β,17α,20S,21R,23R,24S)-21-hydroxy-21,23:24,25-diépoxylanost-7-én-3-yle [French] [ACD/IUPAC Name]
[(3R,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
[22415-24-3] [RN]
22415-24-3 [RN]
3-Epiturraeanthin
MFCD20274850

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 572.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.5±6.0 kJ/mol
    Flash Point: 173.6±23.6 °C
    Index of Refraction: 1.553
    Molar Refractivity: 144.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.84
    ACD/LogD (pH 5.5): 6.45
    ACD/BCF (pH 5.5): 46591.62
    ACD/KOC (pH 5.5): 76411.24
    ACD/LogD (pH 7.4): 6.45
    ACD/BCF (pH 7.4): 46591.52
    ACD/KOC (pH 7.4): 76411.07
    Polar Surface Area: 68 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 44.9±5.0 dyne/cm
    Molar Volume: 451.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement