ChemSpider 2D Image | (8alpha,9beta,14beta,16beta,23S,24R)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl acetate | C32H48O5

(8α,9β,14β,16β,23S,24R)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl acetate

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID57620937

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,14β,16β,23S,24R)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl acetate [ACD/IUPAC Name]
(8α,9β,14β,16β,23S,24R)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,9β,14β,16β,23S,24R)-25-hydroxy-3-oxo-16,23-époxydammara-11,13(17)-dién-24-yle [French] [ACD/IUPAC Name]
Dammara-11,13(17)-dien-3-one, 24-(acetyloxy)-16,23-epoxy-25-hydroxy-, (8α,9β,14β,16β,23S,24R)- [ACD/Index Name]
(8?,?9?,?14?,?16?,?23S,?24R)?-24-?(acetyloxy)?-?16,?23-?epoxy-?25-?hydroxy-Dammara-?11,?13(17)?-?dien-?3-?one?
[(1R)-1-[(1S,2R,4S,6S,8R,13S,14S,19R)-1,2,8,14,18,18-hexamethyl-17-oxo-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-9,11-dien-6-yl]-2-hydroxy-2-methylpropyl] acetate
928148-51-0 [RN]
alisol O

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 615.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.7±6.0 kJ/mol
    Flash Point: 190.2±25.0 °C
    Index of Refraction: 1.552
    Molar Refractivity: 144.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.08
    ACD/LogD (pH 5.5): 6.51
    ACD/BCF (pH 5.5): 52398.50
    ACD/KOC (pH 5.5): 83113.31
    ACD/LogD (pH 7.4): 6.51
    ACD/BCF (pH 7.4): 52398.50
    ACD/KOC (pH 7.4): 83113.31
    Polar Surface Area: 73 Å2
    Polarizability: 57.3±0.5 10-24cm3
    Surface Tension: 44.6±5.0 dyne/cm
    Molar Volume: 452.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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