ChemSpider 2D Image | (4aS,4bS,6aS,7S,9aR,9bS)-7-Acetyl-11-chloro-7-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b-decahydroindeno[4,5-h]isochromen-2(4H)-one | C20H25ClO4

(4aS,4bS,6aS,7S,9aR,9bS)-7-Acetyl-11-chloro-7-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b-decahydroindeno[4,5-h]isochromen-2(4H)-one

  • Molecular FormulaC20H25ClO4
  • Average mass364.863 Da
  • Monoisotopic mass364.144135 Da
  • ChemSpider ID78075811

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4aS,4bS,6aS,7S,9aR,9bS)-7-Acetyl-11-chlor-7-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b-decahydroindeno[4,5-h]isochromen-2(4H)-on [German] [ACD/IUPAC Name]
(4aS,4bS,6aS,7S,9aR,9bS)-7-Acetyl-11-chloro-7-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b-decahydroindeno[4,5-h]isochromen-2(4H)-one [ACD/IUPAC Name]
(4aS,4bS,6aS,7S,9aR,9bS)-7-Acétyl-11-chloro-7-hydroxy-4a,6a-diméthyl-4a,4b,5,6,6a,7,8,9,9a,9b-décahydroindéno[4,5-h]isochromén-2(4H)-one [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one, 7-acetyl-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-7-hydroxy-4a,6a-dimethyl-, (4aS,4bS,6aS,7S,9aR,9bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.1±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.51
ACD/KOC (pH 5.5): 819.30
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.51
ACD/KOC (pH 7.4): 819.29
Polar Surface Area: 64 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 280.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement