ChemSpider 2D Image | 10,13-Dimethyl-17-[5-(2-methylcyclopropyl)-2-hexanyl]-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,7H)-dione | C29H44O2

10,13-Dimethyl-17-[5-(2-methylcyclopropyl)-2-hexanyl]-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,7H)-dione

  • Molecular FormulaC29H44O2
  • Average mass424.659 Da
  • Monoisotopic mass424.334137 Da
  • ChemSpider ID24618034

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

10,13-Dimethyl-17-[5-(2-methylcyclopropyl)-2-hexanyl]-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3,6(2H,7H)-dion [German] [ACD/IUPAC Name]
10,13-Dimethyl-17-[5-(2-methylcyclopropyl)-2-hexanyl]-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,7H)-dione [ACD/IUPAC Name]
10,13-Diméthyl-17-[5-(2-méthylcyclopropyl)-2-hexanyl]-8,9,10,11,12,13,14,15,16,17-décahydro-1H-cyclopenta[a]phénanthrène-3,6(2H,7H)-dione [French] [ACD/IUPAC Name]
petrosterol-3,6-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 528.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 194.5±18.8 °C
Index of Refraction: 1.539
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 164108.03
ACD/KOC (pH 5.5): 188177.05
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 164108.03
ACD/KOC (pH 7.4): 188177.05
Polar Surface Area: 34 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 401.9±5.0 cm3

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