ChemSpider 2D Image | (4R,9beta,16alpha)-16,20-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate | C32H48O7

(4R,9β,16α)-16,20-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID28531853

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4R,9β,16α)-16,20-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate [ACD/IUPAC Name]
(4R,9β,16α)-16,20-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4R,9β,16α)-16,20-dihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholest-5-én-25-yle [French] [ACD/IUPAC Name]
Estr-5-ene-3,11-dione, 17-[(1R)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxohexyl]-16-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α,17β)- [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: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 204.7±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.90
ACD/KOC (pH 5.5): 2351.37
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.90
ACD/KOC (pH 7.4): 2351.36
Polar Surface Area: 118 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 462.1±5.0 cm3

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