ChemSpider 2D Image | (1alpha,3alpha,5alpha,7alpha,13alpha,17alpha)-1,3,7-Triacetoxy-4,4,8-trimethylcarda-14,20(22)-dienolide | C32H44O8

(1α,3α,5α,7α,13α,17α)-1,3,7-Triacetoxy-4,4,8-trimethylcarda-14,20(22)-dienolide

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID9115911

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3α,5α,7α,13α,17α)-1,3,7-Triacetoxy-4,4,8-trimethylcarda-14,20(22)-dienolid [German] [ACD/IUPAC Name]
(1α,3α,5α,7α,13α,17α)-1,3,7-Triacetoxy-4,4,8-trimethylcarda-14,20(22)-dienolide [ACD/IUPAC Name]
(1α,3α,5α,7α,13α,17α)-1,3,7-Triacétoxy-4,4,8-triméthylcarda-14,20(22)-diénolide [French] [ACD/IUPAC Name]
Carda-14,20(22)-dienolide, 1,3,7-tris(acetyloxy)-4,4,8-trimethyl-, (1α,3α,5α,7α,13α,17α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 261.1±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4939.10
ACD/KOC (pH 5.5): 15328.70
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4939.10
ACD/KOC (pH 7.4): 15328.70
Polar Surface Area: 105 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 460.3±5.0 cm3

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