ChemSpider 2D Image | (4aR,7aR)-11-Hydroxy-5-isopropylidene-7a-methyl-3,4,5,6,7,7a-hexahydro-2H-benzo[c]cyclopenta[b]chromen-2-one | C20H22O3

(4aR,7aR)-11-Hydroxy-5-isopropylidene-7a-methyl-3,4,5,6,7,7a-hexahydro-2H-benzo[c]cyclopenta[b]chromen-2-one

  • Molecular FormulaC20H22O3
  • Average mass310.387 Da
  • Monoisotopic mass310.156891 Da
  • ChemSpider ID78441063

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aR)-11-Hydroxy-5-isopropyliden-7a-methyl-3,4,5,6,7,7a-hexahydro-2H-benzo[c]cyclopenta[b]chromen-2-on [German] [ACD/IUPAC Name]
(4aR,7aR)-11-Hydroxy-5-isopropylidene-7a-methyl-3,4,5,6,7,7a-hexahydro-2H-benzo[c]cyclopenta[b]chromen-2-one [ACD/IUPAC Name]
(4aR,7aR)-11-Hydroxy-5-isopropylidène-7a-méthyl-3,4,5,6,7,7a-hexahydro-2H-benzo[c]cyclopenta[b]chromén-2-one [French] [ACD/IUPAC Name]
2H-Dibenzo[c,e]cyclopenta[b]pyran-2-one, 3,4,5,6,7,7a-hexahydro-11-hydroxy-7a-methyl-5-(1-methylethylidene)-, (4aR,7aR)- [ACD/Index Name]
Ganocin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 173.4±22.2 °C
Index of Refraction: 1.623
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3790.98
ACD/KOC (pH 5.5): 12684.17
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3785.81
ACD/KOC (pH 7.4): 12666.88
Polar Surface Area: 47 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 249.6±5.0 cm3

Click to predict properties on the Chemicalize site


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