ChemSpider 2D Image | (1beta,5beta,9beta,10alpha,11beta,13alpha,14R)-15,20-Dioxo-7,20-epoxykaur-16-ene-1,11,14-triyl triacetate | C26H32O9

(1β,5β,9β,10α,11β,13α,14R)-15,20-Dioxo-7,20-epoxykaur-16-ene-1,11,14-triyl triacetate

  • Molecular FormulaC26H32O9
  • Average mass488.527 Da
  • Monoisotopic mass488.204620 Da
  • ChemSpider ID45144813

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1β,5β,9β,10α,11β,13α,14R)-15,20-Dioxo-7,20-epoxykaur-16-en-1,11,14-triyl-triacetat [German] [ACD/IUPAC Name]
(1β,5β,9β,10α,11β,13α,14R)-15,20-Dioxo-7,20-epoxykaur-16-ene-1,11,14-triyl triacetate [ACD/IUPAC Name]
Triacétate de (1β,5β,9β,10α,11β,13α,14R)-15,20-dioxo-7,20-époxykaur-16-ène-1,11,14-triyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 264.6±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.48
ACD/KOC (pH 5.5): 1295.41
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.48
ACD/KOC (pH 7.4): 1295.41
Polar Surface Area: 122 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 369.6±5.0 cm3

Click to predict properties on the Chemicalize site


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