ChemSpider 2D Image | (23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11-dione | C30H46O6

(23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11-dione

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID4583761

  • Double-bond stereo - Double-bond stereo

More details:

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

(23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-1,11-dion [German] [ACD/IUPAC Name]
(23E)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,11-dione [ACD/IUPAC Name]
(23E)-2,16,20,25-Tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,23-diène-1,11-dione [French] [ACD/IUPAC Name]
Estr-5-ene-3,11-dione, 17-[(3E)-1,5-dihydroxy-1,5-dimethyl-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl- [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: 669.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 372.8±28.0 °C
Index of Refraction: 1.576
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.14
ACD/KOC (pH 5.5): 809.56
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.14
ACD/KOC (pH 7.4): 809.56
Polar Surface Area: 115 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 418.9±5.0 cm3

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