ChemSpider 2D Image | (8R,9R,10S,13R,14R)-10,13-Dimethyl(3',3',4',4'-~2~H_4_)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione | C22H26D4O3

(8R,9R,10S,13R,14R)-10,13-Dimethyl(3',3',4',4'-2H4)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione

  • Molecular FormulaC22H26D4O3
  • Average mass346.496 Da
  • Monoisotopic mass346.244598 Da
  • ChemSpider ID111312873

  • defined stereocentres - 5 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8R,9R,10S,13R,14R)-10,13-Dimethyl(3',3',4',4'-2H4)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-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-3',3',4',4'-d4, 1,3',4',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-10,13-dimethyl-, (8R,9R,10S,13R,14R)- [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: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 228.9±30.2 °C
Index of Refraction: 1.566
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.69
ACD/KOC (pH 5.5): 740.90
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.69
ACD/KOC (pH 7.4): 740.90
Polar Surface Area: 43 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 292.2±5.0 cm3

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