ChemSpider 2D Image | (5beta,7alpha,9beta,10alpha,12alpha,13alpha,14R)-7,12,14-Trihydroxy-16,17-epoxykaurane-11,15-dione | C20H28O6

(5β,7α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-16,17-epoxykaurane-11,15-dione

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID28285933

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

Featured data source
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(5β,7α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-16,17-epoxykauran-11,15-dion [German] [ACD/IUPAC Name]
(5β,7α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-16,17-epoxykaurane-11,15-dione [ACD/IUPAC Name]
(5β,7α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-16,17-époxykaurane-11,15-dione [French] [ACD/IUPAC Name]
isoscoparin D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.5±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: 215.3±25.0 °C
Index of Refraction: 1.614
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.85
ACD/KOC (pH 5.5): 204.28
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.85
ACD/KOC (pH 7.4): 204.28
Polar Surface Area: 107 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 260.9±5.0 cm3

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