ChemSpider 2D Image | (5alpha,7alpha,15beta,22S,24E)-22-Acetoxy-7,9,15-trihydroxy-4,4,15-trimethyl-3-oxocholesta-8(14),24-dien-26-oic acid | C32H48O8

(5α,7α,15β,22S,24E)-22-Acetoxy-7,9,15-trihydroxy-4,4,15-trimethyl-3-oxocholesta-8(14),24-dien-26-oic acid

  • Molecular FormulaC32H48O8
  • Average mass560.719 Da
  • Monoisotopic mass560.334900 Da
  • ChemSpider ID58825937

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α,7α,15β,22S,24E)-22-Acetoxy-7,9,15-trihydroxy-4,4,15-trimethyl-3-oxocholesta-8(14),24-dien-26-oic acid [ACD/IUPAC Name]
(5α,7α,15β,22S,24E)-22-Acetoxy-7,9,15-trihydroxy-4,4,15-trimethyl-3-oxocholesta-8(14),24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (5α,7α,15β,22S,24E)-22-acétoxy-7,9,15-trihydroxy-4,4,15-triméthyl-3-oxocholesta-8(14),24-dién-26-oïque [French] [ACD/IUPAC Name]
Cholesta-8(14),24-dien-26-oic acid, 22-(acetyloxy)-7,9,15-trihydroxy-4,4,15-trimethyl-3-oxo-, (5α,7α,15β,22S,24E)- [ACD/Index Name]
ganorbiformin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 221.6±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 170.35
ACD/KOC (pH 5.5): 837.47
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 13.57
Polar Surface Area: 141 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 453.0±5.0 cm3

Click to predict properties on the Chemicalize site


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