ChemSpider 2D Image | (8S,9S,10S,13R,14R,17S)-10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione | C22H28O3

(8S,9S,10S,13R,14R,17S)-10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione

  • Molecular FormulaC22H28O3
  • Average mass340.456 Da
  • Monoisotopic mass340.203857 Da
  • ChemSpider ID62625426

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8S,9S,10S,13R,14R,17S)-10,13-Dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione, 1,3',4',8,9,10,11,12,13,14,15,16-dodecahydro-10,13-dimethyl-, (8S,9S,10S,13R,14R,17S)- [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: 541.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 237.6±30.2 °C
Index of Refraction: 1.581
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.08
ACD/KOC (pH 5.5): 548.27
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.08
ACD/KOC (pH 7.4): 548.27
Polar Surface Area: 43 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 285.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement