ChemSpider 2D Image | 16,20,25-Trihydroxy-2-isopropoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione | C33H48O7

16,20,25-Trihydroxy-2-isopropoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione

  • Molecular FormulaC33H48O7
  • Average mass556.730 Da
  • Monoisotopic mass556.340027 Da
  • ChemSpider ID266229

More details:

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

16,20,25-Trihydroxy-2-isopropoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-trien-1,11,22-trion [German] [ACD/IUPAC Name]
16,20,25-Trihydroxy-2-isopropoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione [ACD/IUPAC Name]
16,20,25-Trihydroxy-2-isopropoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-2,5,23-triène-1,11,22-trione [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-(1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl)-16-hydroxy-4,4,9,14-tetramethyl-2-(1-methylethoxy)- [ACD/Index Name]

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

NSC177855 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 218.4±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.80
ACD/KOC (pH 5.5): 2753.89
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.80
ACD/KOC (pH 7.4): 2753.88
Polar Surface Area: 121 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

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