ChemSpider 2D Image | (23E)-2,16,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-20-yl acetate | C32H44O8

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

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID4907785

  • Double-bond stereo - Double-bond stereo

More details:

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

(23E)-2,16,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-20-yl acetate [ACD/IUPAC Name]
(23E)-2,16,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-20-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (23E)-2,16,25-trihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-2,5,23-trién-20-yle [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-[(3E)-1-(acetyloxy)-5-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl- [ACD/Index Name]
38308-89-3 [RN]
DATISCACIN

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

NSC251679 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 710.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 223.6±26.4 °C
Index of Refraction: 1.579
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.50
ACD/KOC (pH 5.5): 1921.21
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 251.76
ACD/KOC (pH 7.4): 1781.52
Polar Surface Area: 138 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 445.9±5.0 cm3

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