ChemSpider 2D Image | [(8S,9S,10R,11S,13R,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate | C26H38O6

[(8S,9S,10R,11S,13R,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID57264885

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,10S,11S,14R,15R,17S)-17-HYDROXY-14-(2-HYDROXYACETYL)-2,15-DIMETHYL-5-OXOTETRACYCLO[8.7.0.0(2,7).0(11,15)]HEPTADEC-6-EN-14-YL PENTANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 195.0±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.02
ACD/KOC (pH 5.5): 1664.03
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.02
ACD/KOC (pH 7.4): 1664.02
Polar Surface Area: 101 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 367.6±5.0 cm3

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