ChemSpider 2D Image | 1-(12-Acetoxy-14,17-dihydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)ethyl benzoate | C32H44O8

1-(12-Acetoxy-14,17-dihydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)ethyl benzoate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID493313

More details:

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

1-(12-Acetoxy-14,17-dihydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl)ethyl benzoate [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-12,14,17(2H)-triol, 17-[1-(benzoyloxy)ethyl]tetradecahydro-10,13-dimethyl-, 12-acetate [ACD/Index Name]
Pregnan-3-one, 12-(acetyloxy)-20-(benzoyloxy)-14,17-dihydroxy-, cyclic 3-(1,2-ethanediyl acetal)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 199.3±25.0 °C
Index of Refraction: 1.589
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1132.73
ACD/KOC (pH 5.5): 5342.49
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1132.73
ACD/KOC (pH 7.4): 5342.48
Polar Surface Area: 112 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 436.5±5.0 cm3

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