ChemSpider 2D Image | (4R,9beta,16alpha,23E)-16,20-Dihydroxy-2-isopropoxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate | C35H50O8

(4R,9β,16α,23E)-16,20-Dihydroxy-2-isopropoxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate

  • Molecular FormulaC35H50O8
  • Average mass598.767 Da
  • Monoisotopic mass598.350586 Da
  • ChemSpider ID26346205

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4R,9β,16α,23E)-16,20-Dihydroxy-2-isopropoxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate [ACD/IUPAC Name]
(4R,9β,16α,23E)-16,20-Dihydroxy-2-isopropoxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4R,9β,16α,23E)-16,20-dihydroxy-2-isopropoxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-2,5,23-trién-25-yle [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-16-hydroxy-4,4,9,14-tetramethyl-2-(1-methylethoxy)-, (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: 717.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 219.2±26.4 °C
Index of Refraction: 1.558
Molar Refractivity: 162.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1319.31
ACD/KOC (pH 5.5): 5958.57
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1319.30
ACD/KOC (pH 7.4): 5958.53
Polar Surface Area: 127 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 503.3±5.0 cm3

Click to predict properties on the Chemicalize site


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