ChemSpider 2D Image | (4aS,4bS,6aS,7R,9aS,9bS,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one | C19H30O3

(4aS,4bS,6aS,7R,9aS,9bS,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one

  • Molecular FormulaC19H30O3
  • Average mass306.440 Da
  • Monoisotopic mass306.219482 Da
  • ChemSpider ID62310345

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,4bS,6aS,7R,9aS,9bS,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-on [German] [ACD/IUPAC Name]
(4aS,4bS,6aS,7R,9aS,9bS,11aS)-7-Hydroxy-4a,6a,7-trimethyltetradecahydroindeno[4,5-h]isochromen-2(1H)-one [ACD/IUPAC Name]
(4aS,4bS,6aS,7R,9aS,9bS,11aS)-7-Hydroxy-4a,6a,7-triméthyltétradécahydroindéno[4,5-h]isochromén-2(1H)-one [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[1,2-c]pyran-2(1H)-one, tetradecahydro-7-hydroxy-4a,6a,7-trimethyl-, (4aS,4bS,6aS,7R,9aS,9bS,11aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±6.0 kJ/mol
Flash Point: 179.1±21.5 °C
Index of Refraction: 1.526
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.79
ACD/KOC (pH 5.5): 1470.43
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.79
ACD/KOC (pH 7.4): 1470.43
Polar Surface Area: 47 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

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