ChemSpider 2D Image | (4aR,4bS,7S,8aS,10aS)-3-Hydroxy-4b,7,10a-trimethyl-7-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-1,2-phenanthrenedione | C19H26O3

(4aR,4bS,7S,8aS,10aS)-3-Hydroxy-4b,7,10a-trimethyl-7-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-1,2-phenanthrenedione

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID35517014

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aR,4bS,7S,8aS,10aS)-3-Hydroxy-4b,7,10a-trimethyl-7-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-1,2-phenanthrendion [German] [ACD/IUPAC Name]
(4aR,4bS,7S,8aS,10aS)-3-Hydroxy-4b,7,10a-trimethyl-7-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-1,2-phenanthrenedione [ACD/IUPAC Name]
(4aR,4bS,7S,8aS,10aS)-3-Hydroxy-4b,7,10a-triméthyl-7-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-décahydro-1,2-phénanthrènedione [French] [ACD/IUPAC Name]
1,2-Phenanthrenedione, 7-ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-3-hydroxy-4b,7,10a-trimethyl-, (4aR,4bS,7S,8aS,10aS)- [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: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 218.4±25.2 °C
Index of Refraction: 1.580
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 600.65
ACD/KOC (pH 5.5): 3371.58
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 222.61
ACD/KOC (pH 7.4): 1249.58
Polar Surface Area: 54 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 260.4±3.0 cm3

Click to predict properties on the Chemicalize site


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