ChemSpider 2D Image | (5S,8S,9R,10R,13R,14R)-10,13-Dimethyldodecahydrospiro[cyclopenta[a]phenanthrene-12,2'-[1,3]dioxolane]-3,17(2H,4H)-dione | C21H30O4

(5S,8S,9R,10R,13R,14R)-10,13-Dimethyldodecahydrospiro[cyclopenta[a]phenanthrene-12,2'-[1,3]dioxolane]-3,17(2H,4H)-dione

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID30658604

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S,8S,9R,10R,13R,14R)-10,13-Dimethyldodecahydrospiro[cyclopenta[a]phenanthrene-12,2'-[1,3]dioxolane]-3,17(2H,4H)-dione [ACD/IUPAC Name]
Spiro[12H-cyclopenta[a]phenanthrene-12,2'-[1,3]dioxolane]-3,17(2H,4H)-dione, dodecahydro-10,13-dimethyl-, (5S,8S,9R,10R,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: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 209.1±28.8 °C
Index of Refraction: 1.554
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.31
ACD/KOC (pH 5.5): 464.24
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.31
ACD/KOC (pH 7.4): 464.24
Polar Surface Area: 53 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

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