ChemSpider 2D Image | 1-[(8R,9R,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethanone | C23H34O4

1-[(8R,9R,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethanone

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID62610872

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1-[(8R,9R,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[(8R,9R,10R,13S,14S,17R)-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-17-hydroxy-10,13-dimethylspiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]- [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: 505.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 170.2±23.6 °C
Index of Refraction: 1.568
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 351.92
ACD/KOC (pH 5.5): 2313.91
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 351.92
ACD/KOC (pH 7.4): 2313.91
Polar Surface Area: 56 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 315.3±5.0 cm3

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