ChemSpider 2D Image | 9-Acetoxy-1-acetyl-5a,5b,8,11a-tetramethylicosahydro-3aH-cyclopenta[a]chrysene-3a,8-dicarboxylic acid | C31H46O7

9-Acetoxy-1-acetyl-5a,5b,8,11a-tetramethylicosahydro-3aH-cyclopenta[a]chrysene-3a,8-dicarboxylic acid

  • Molecular FormulaC31H46O7
  • Average mass530.693 Da
  • Monoisotopic mass530.324341 Da
  • ChemSpider ID72390945

More details:

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

3aH-Cyclopenta[a]chrysene-3a,8-dicarboxylic acid, 1-acetyl-9-(acetyloxy)eicosahydro-5a,5b,8,11a-tetramethyl- [ACD/Index Name]
9-Acetoxy-1-acetyl-5a,5b,8,11a-tetramethylicosahydro-3aH-cyclopenta[a]chrysen-3a,8-dicarbonsäure [German] [ACD/IUPAC Name]
9-Acetoxy-1-acetyl-5a,5b,8,11a-tetramethylicosahydro-3aH-cyclopenta[a]chrysene-3a,8-dicarboxylic acid [ACD/IUPAC Name]
Acide 9-acétoxy-1-acétyl-5a,5b,8,11a-tétraméthylicosahydro-3aH-cyclopenta[a]chrysène-3a,8-dicarboxylique [French] [ACD/IUPAC Name]
262272-76-4 [RN]
3α-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid
MFCD28100312

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 200.8±20.8 °C
Index of Refraction: 1.560
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 45.55
ACD/KOC (pH 5.5): 116.14
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 434.9±5.0 cm3

Click to predict properties on the Chemicalize site


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