ChemSpider 2D Image | (1alpha,3beta,5beta,7beta,8alpha,9beta,10alpha,11beta,12alpha)-12-Hydroxy-15-oxokaur-16-ene-1,3,7,11-tetrayl tetraacetate | C28H38O10

(1α,3β,5β,7β,8α,9β,10α,11β,12α)-12-Hydroxy-15-oxokaur-16-ene-1,3,7,11-tetrayl tetraacetate

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID115284560

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,5β,7β,8α,9β,10α,11β,12α)-12-Hydroxy-15-oxokaur-16-en-1,3,7,11-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,7β,8α,9β,10α,11β,12α)-12-Hydroxy-15-oxokaur-16-ene-1,3,7,11-tetrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (1α,3β,5β,7β,8α,9β,10α,11β,12α)-12-hydroxy-15-oxokaur-16-ène-1,3,7,11-tétrayle [French] [ACD/IUPAC Name]
[(1R,2S,4R,6S,8S,9R,10S,11R,12R,13S)-6,8,11-triacetyloxy-12-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
123043-54-9 [RN]
Bulleyanin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 189.1±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.27
ACD/KOC (pH 5.5): 399.66
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.27
ACD/KOC (pH 7.4): 399.66
Polar Surface Area: 143 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 418.4±5.0 cm3

Click to predict properties on the Chemicalize site


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