ChemSpider 2D Image | 21,23,25-Trihydroxy-4,4,8-trimethyl-3,24-dioxocholesta-1,14-dien-7-yl acetate | C32H48O7

21,23,25-Trihydroxy-4,4,8-trimethyl-3,24-dioxocholesta-1,14-dien-7-yl acetate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID433297

More details:

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

21,23,25-Trihydroxy-4,4,8-trimethyl-3,24-dioxocholesta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
21,23,25-Trihydroxy-4,4,8-trimethyl-3,24-dioxocholesta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 21,23,25-trihydroxy-4,4,8-triméthyl-3,24-dioxocholesta-1,14-dién-7-yle [French] [ACD/IUPAC Name]
Cholesta-1,14-diene-3,24-dione, 7-(acetyloxy)-21,23,25-trihydroxy-4,4,8-trimethyl- [ACD/Index Name]

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

AIDS137003 [DBID]
AIDS-137003 [DBID]
NSC640468 [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: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3141.98
ACD/KOC (pH 5.5): 11089.01
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3141.95
ACD/KOC (pH 7.4): 11088.94
Polar Surface Area: 121 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 456.7±5.0 cm3

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