ChemSpider 2D Image | (5xi,8alpha,9beta,11beta,12beta,14beta,23S,24R)-11,12-Dihydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl acetate | C32H48O7

(5ξ,8α,9β,11β,12β,14β,23S,24R)-11,12-Dihydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl acetate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID9975365

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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(5ξ,8α,9β,11β,12β,14β,23S,24R)-11,12-Dihydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(5ξ,8α,9β,11β,12β,14β,23S,24R)-11,12-Dihydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,8α,9β,11β,12β,14β,23S,24R)-11,12-dihydroxy-3,16-dioxo-24,25-époxydammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
Dammar-13(17)-ene-3,16-dione, 23-(acetyloxy)-24,25-epoxy-11,12-dihydroxy-, (5ξ,8α,9β,11β,12β,14β,23S,24R)- [ACD/Index Name]
alisol M 23-acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 647.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 200.7±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 413.86
ACD/KOC (pH 5.5): 2598.68
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 413.86
ACD/KOC (pH 7.4): 2598.67
Polar Surface Area: 113 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 453.8±5.0 cm3

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